2-Methyl-3-methylidenehept-1-en-5-yne
TL;DR: 2-Methyl-3-methylidenehept-1-en-5-yne (CAS 76003-40-2) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-methylidenehept-1-en-5-yne
Also Known As: 2-methyl-3-methylidenehept-1-en-5-yne, 2-Methyl-3-methylene-1-hepten-5-yne, 1-Hepten-5-yne, 2-methyl-3-methylene-, 2-Methyl-3-methylene-1-heptene-5-yne, 2-Methyl-3-methylene-1-hepten-5-yne #
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 76003-40-2 |
|---|---|
| SMILES | CC#CCC(=C)C(=C)C |
| InChIKey | MYTVFGSTXPHJTF-UHFFFAOYSA-N |
Product Overview
2-Methyl-3-methylidenehept-1-en-5-yne (CAS 76003-40-2), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 2-methyl-3-methylidenehept-1-en-5-yne.
Chemical Property Profile of 2-Methyl-3-methylidenehept-1-en-5-yne
Property Insights of 2-Methyl-3-methylidenehept-1-en-5-yne
The XLogP value of 3.8 indicates that 2-Methyl-3-methylidenehept-1-en-5-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyl-3-methylidenehept-1-en-5-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-methylidenehept-1-en-5-yne has 0 hydrogen bond donor(s) and 0 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-Methyl-3-methylidenehept-1-en-5-yne?
The CAS number of 2-Methyl-3-methylidenehept-1-en-5-yne is 76003-40-2.
What is the molecular formula of 2-Methyl-3-methylidenehept-1-en-5-yne?
The molecular formula of 2-Methyl-3-methylidenehept-1-en-5-yne is C9H12.
What is the molecular weight of 2-Methyl-3-methylidenehept-1-en-5-yne?
The molecular weight of 2-Methyl-3-methylidenehept-1-en-5-yne is 120.09 g/mol.
Where can I buy 2-Methyl-3-methylidenehept-1-en-5-yne?
You can request a quote for 2-Methyl-3-methylidenehept-1-en-5-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-methylidenehept-1-en-5-yne?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-methylidenehept-1-en-5-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.