2-Methyl-2-pentene-1,1,1-D3 (trans)
TL;DR: 2-Methyl-2-pentene-1,1,1-D3 (trans) (CAS 69432-95-7) is a chemical compound with molecular formula C6H12 and molecular weight 87.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1,1-trideuterio-2-methylpent-2-ene
Also Known As: 2-METHYL-2-PENTENE-1,1,1-D3 (TRANS), (E)-2-Methyl(1,1,1-2H3)-2-pentene, (E)-2-Methyl-(1,1,1-2H3)2-pentene, (2E)-2-methyl(1,1,1-2H3)pent-2-ene, (E)-1,1,1-trideuterio-2-methylpent-2-ene
| Molecular Formula | C6H12 |
|---|---|
| Molecular Weight | 87.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 87.11273 |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 69432-95-7 |
|---|---|
| SMILES | [2H]C([2H])([2H])/C(=C/CC)/C |
| InChIKey | JMMZCWZIJXAGKW-KOMBNXKUSA-N |
Product Overview
2-Methyl-2-pentene-1,1,1-D3 (trans) (CAS 69432-95-7), with molecular formula C6H12 and molecular weight 87.11 g/mol. IUPAC: (E)-1,1,1-trideuterio-2-methylpent-2-ene.
Chemical Property Profile of 2-Methyl-2-pentene-1,1,1-D3 (trans)
Property Insights of 2-Methyl-2-pentene-1,1,1-D3 (trans)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-pentene-1,1,1-D3 (trans). With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyl-2-pentene-1,1,1-D3 (trans) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-pentene-1,1,1-D3 (trans) 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-2-pentene-1,1,1-D3 (trans)?
The CAS number of 2-Methyl-2-pentene-1,1,1-D3 (trans) is 69432-95-7.
What is the molecular formula of 2-Methyl-2-pentene-1,1,1-D3 (trans)?
The molecular formula of 2-Methyl-2-pentene-1,1,1-D3 (trans) is C6H12.
What is the molecular weight of 2-Methyl-2-pentene-1,1,1-D3 (trans)?
The molecular weight of 2-Methyl-2-pentene-1,1,1-D3 (trans) is 87.11 g/mol.
Where can I buy 2-Methyl-2-pentene-1,1,1-D3 (trans)?
You can request a quote for 2-Methyl-2-pentene-1,1,1-D3 (trans) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-pentene-1,1,1-D3 (trans)?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-pentene-1,1,1-D3 (trans) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.