3,3-Dimethylpentanal
TL;DR: 3,3-Dimethylpentanal (CAS 118993-47-8) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylpentanal
Also Known As: 3,3-dimethylpentanal, 3,3-dimethyl-valeraldehyde, 827-603-9, RefChem:485601
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.0116 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 74.45601 |
Chemical Identifiers
| CAS Number | 118993-47-8 |
|---|---|
| SMILES | CCC(C)(C)CC=O |
Product Overview
3,3-Dimethylpentanal (CAS 118993-47-8), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 3,3-dimethylpentanal.
Chemical Property Profile of 3,3-Dimethylpentanal
Property Insights of 3,3-Dimethylpentanal
The XLogP value of 2.0116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylpentanal. With a topological polar surface area (TPSA) of 17.07 Ų, 3,3-Dimethylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylpentanal has 0 hydrogen bond donor(s) and 1 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 3,3-Dimethylpentanal?
The CAS number of 3,3-Dimethylpentanal is 118993-47-8.
What is the molecular formula of 3,3-Dimethylpentanal?
The molecular formula of 3,3-Dimethylpentanal is C7H14O.
What is the molecular weight of 3,3-Dimethylpentanal?
The molecular weight of 3,3-Dimethylpentanal is 114.10 g/mol.
Where can I buy 3,3-Dimethylpentanal?
You can request a quote for 3,3-Dimethylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.