2-Oxepanemethanol, 3,7,7-trimethyl-
TL;DR: 2-Oxepanemethanol, 3,7,7-trimethyl- (CAS 71077-32-2) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,7,7-trimethyloxepan-2-yl)methanol
Also Known As: 2-Oxepanemethanol, 3,7,7-trimethyl-, 3,7,7-Trimethyloxepane-2-methanol, (3,7,7-trimethyloxepan-2-yl)methanol, 2-Hydroxymethyl-3,7,7-trimethyloxepane, 3,7,7-Trimethyl-2-oxepanemethanol
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 71077-32-2 |
|---|---|
| SMILES | CC1CCCC(OC1CO)(C)C |
| InChIKey | NRHSOPLJFZHMIN-UHFFFAOYSA-N |
Product Overview
2-Oxepanemethanol, 3,7,7-trimethyl- (CAS 71077-32-2), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: (3,7,7-trimethyloxepan-2-yl)methanol.
Chemical Property Profile of 2-Oxepanemethanol, 3,7,7-trimethyl-
Property Insights of 2-Oxepanemethanol, 3,7,7-trimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxepanemethanol, 3,7,7-trimethyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Oxepanemethanol, 3,7,7-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxepanemethanol, 3,7,7-trimethyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Oxepanemethanol, 3,7,7-trimethyl-?
The CAS number of 2-Oxepanemethanol, 3,7,7-trimethyl- is 71077-32-2.
What is the molecular formula of 2-Oxepanemethanol, 3,7,7-trimethyl-?
The molecular formula of 2-Oxepanemethanol, 3,7,7-trimethyl- is C10H20O2.
What is the molecular weight of 2-Oxepanemethanol, 3,7,7-trimethyl-?
The molecular weight of 2-Oxepanemethanol, 3,7,7-trimethyl- is 172.15 g/mol.
Where can I buy 2-Oxepanemethanol, 3,7,7-trimethyl-?
You can request a quote for 2-Oxepanemethanol, 3,7,7-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxepanemethanol, 3,7,7-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxepanemethanol, 3,7,7-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.