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1-Butanol, 3,3'-oxybis- structure
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1-Butanol, 3,3'-oxybis-

TL;DR: 1-Butanol, 3,3'-oxybis- (CAS 54289-82-6) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(4-hydroxybutan-2-yloxy)butan-1-ol

Also Known As: 1-Butanol, 3,3'-oxybis-, 3,3'-Oxybis(butan-1-ol), 3,3'-Oxybisbutan-1-ol, 3,3'-Oxydi(butan-1-ol), 3,3 -Oxybis(1-butanol)

CAS Number
54289-82-6
Molecular Formula
C8H18O3
Molecular Weight
162.1256 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (13 patents) Coatings & Adhesives (1 patents) Heterocyclic Building Blocks (1 patents) Pharmaceutical Intermediates (1 patents) Plastic Additives (6 patents)

Technical Specifications

Molecular FormulaC8H18O3
Molecular Weight162.1256 g/mol
XLogP0.3
Topological Polar Surface Area (TPSA)49.7 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds6
Exact Mass162.1256 Da
Heavy Atoms11
Complexity75.0
SMILESCC(CCO)OC(C)CCO
InChIKeyZIYSJVFROIOYRQ-UHFFFAOYSA-N

Chemical Property Profile of 1-Butanol, 3,3'-oxybis-

XLogP
0.3
TPSA (Topological Polar Surface Area)
49.7
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
11
Complexity
75.0
Exact Mass
162.1256
Monoisotopic Mass
162.1256
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-Butanol, 3,3'-oxybis-

The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 3,3'-oxybis-. With a topological polar surface area (TPSA) of 49.7 Ų, 1-Butanol, 3,3'-oxybis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 3,3'-oxybis- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1-Butanol, 3,3'-oxybis-?

The CAS number of 1-Butanol, 3,3'-oxybis- is 54289-82-6.

What is the molecular formula of 1-Butanol, 3,3'-oxybis-?

The molecular formula of 1-Butanol, 3,3'-oxybis- is C8H18O3.

What is the molecular weight of 1-Butanol, 3,3'-oxybis-?

The molecular weight of 1-Butanol, 3,3'-oxybis- is 162.1256 g/mol.

Where can I buy 1-Butanol, 3,3'-oxybis-?

You can request a quote for 1-Butanol, 3,3'-oxybis- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-Butanol, 3,3'-oxybis-?

Yes, CoreyChem provides custom synthesis services for 1-Butanol, 3,3'-oxybis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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