6-羟基-3,7-二甲基辛酸内酯
TL;DR: 6-羟基-3,7-二甲基辛酸内酯 (CAS 499-54-7) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-羟基-3,7-二甲基辛酸内酯
4-methyl-7-propan-2-yloxepan-2-one
Also Known As: Menthone lactone, 7-Isopropyl-4-methyloxepan-2-one, 3,7-Dimethyl-6-octanolide, 4-Methyl-7-isopropyl-2-oxepanone, FEMA No. 3355
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| Boiling Point | 247.00 to 248.00 °C. @ 760.00 mm Hg |
| Density | 0.966-0.973 |
| Solubility | very soluble in water and soluble in alcohol |
| Refractive Index | 1.457-1.461 |
Chemical Identifiers
| CAS Number | 499-54-7 |
|---|---|
| SMILES | CC1CCC(OC(=O)C1)C(C)C |
| InChIKey | GGAXPLCKKANQED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-羟基-3,7-二甲基辛酸内酯 (CAS 499-54-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 4-methyl-7-propan-2-yloxepan-2-one.
Chemical Property Profile of 6-羟基-3,7-二甲基辛酸内酯
Property Insights of 6-羟基-3,7-二甲基辛酸内酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-羟基-3,7-二甲基辛酸内酯. With a topological polar surface area (TPSA) of 26.3 Ų, 6-羟基-3,7-二甲基辛酸内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-羟基-3,7-二甲基辛酸内酯 has 0 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 6-羟基-3,7-二甲基辛酸内酯?
The CAS number of 6-羟基-3,7-二甲基辛酸内酯 is 499-54-7.
What is the molecular formula of 6-羟基-3,7-二甲基辛酸内酯?
The molecular formula of 6-羟基-3,7-二甲基辛酸内酯 is C10H18O2.
What is the molecular weight of 6-羟基-3,7-二甲基辛酸内酯?
The molecular weight of 6-羟基-3,7-二甲基辛酸内酯 is 170.13 g/mol.
Where can I buy 6-羟基-3,7-二甲基辛酸内酯?
You can request a quote for 6-羟基-3,7-二甲基辛酸内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-羟基-3,7-二甲基辛酸内酯?
Yes, KEHONG BIO provides custom synthesis services for 6-羟基-3,7-二甲基辛酸内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.