2-methyldec-2-ene;(E)-3-methyloct-3-ene

C20H40 — CID 158273122

IUPAC2-methyldec-2-ene;(E)-3-methyloct-3-ene
SMILESCCCC/C=C(\C)CC.CCCCCCCC=C(C)C
InChIInChI=1S/C11H22.C9H18/c1-4-5-6-7-8-9-10-11(2)3;1-4-6-7-8-9(3)5-2/h10H,4-9H2,1-3H3;8H,4-7H2,1-3H3/b;9-8+
InChIKeyGJHCMHZEIZIFCB-RJDPJKJLSA-N
MW280.54 g/mol
LogP7.85
Rot. Bonds10

About 2-methyldec-2-ene;(E)-3-methyloct-3-ene

2-methyldec-2-ene;(E)-3-methyloct-3-ene (PubChem CID 158273122) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2-methyldec-2-ene;(E)-3-methyloct-3-ene.

Molecular Properties

Compound Name2-methyldec-2-ene;(E)-3-methyloct-3-ene
PubChem CID158273122
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name2-methyldec-2-ene;(E)-3-methyloct-3-ene
SMILESCCCC/C=C(\C)CC.CCCCCCCC=C(C)C
InChIInChI=1S/C11H22.C9H18/c1-4-5-6-7-8-9-10-11(2)3;1-4-6-7-8-9(3)5-2/h10H,4-9H2,1-3H3;8H,4-7H2,1-3H3/b;9-8+
InChIKeyGJHCMHZEIZIFCB-RJDPJKJLSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
(E)-3-methylnon-3-ene
CID 5364647
2,6-dimethyltetradeca-2,6-diene
CID 57189781
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylhexadec-4-ene
CID 174447790
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-2-ene;(E)-3-methyloct-3-ene?
The IUPAC name of 2-methyldec-2-ene;(E)-3-methyloct-3-ene (CID 158273122) is 2-methyldec-2-ene;(E)-3-methyloct-3-ene.
What is the SMILES notation for 2-methyldec-2-ene;(E)-3-methyloct-3-ene?
The canonical SMILES for 2-methyldec-2-ene;(E)-3-methyloct-3-ene is CCCC/C=C(\C)CC.CCCCCCCC=C(C)C.
What is the InChIKey of 2-methyldec-2-ene;(E)-3-methyloct-3-ene?
The InChIKey is GJHCMHZEIZIFCB-RJDPJKJLSA-N. The full InChI is InChI=1S/C11H22.C9H18/c1-4-5-6-7-8-9-10-11(2)3;1-4-6-7-8-9(3)5-2/h10H,4-9H2,1-3H3;8H,4-7H2,1-3H3/b;9-8+.
What are the key properties of 2-methyldec-2-ene;(E)-3-methyloct-3-ene?
2-methyldec-2-ene;(E)-3-methyloct-3-ene has a molecular weight of 280.54 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldec-2-ene;(E)-3-methyloct-3-ene is sourced from PubChem (CID 158273122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).