4-ethylhept-2-ene

C9H18 — CID 54449444

IUPAC4-ethylhept-2-ene
SMILESCC=CC(CC)CCC
InChIInChI=1S/C9H18/c1-4-7-9(6-3)8-5-2/h4,7,9H,5-6,8H2,1-3H3
InChIKeyTVOTXGYSHQVEII-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds4

About 4-ethylhept-2-ene

4-ethylhept-2-ene (PubChem CID 54449444) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 4-ethylhept-2-ene.

Molecular Properties

Compound Name4-ethylhept-2-ene
PubChem CID54449444
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name4-ethylhept-2-ene
SMILESCC=CC(CC)CCC
InChIInChI=1S/C9H18/c1-4-7-9(6-3)8-5-2/h4,7,9H,5-6,8H2,1-3H3
InChIKeyTVOTXGYSHQVEII-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Dihydromyrcene
CID 17090
4-Vinyl-1-cyclohexene
CID 7499
6-Methyl-1-heptene
CID 21122
alpha-Bisabolene
CID 86597
Dihydromyrcene, (+)-
CID 10887985
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
Isoterpinolene
CID 102443

Frequently Asked Questions

What is the IUPAC name of 4-ethylhept-2-ene?
The IUPAC name of 4-ethylhept-2-ene (CID 54449444) is 4-ethylhept-2-ene.
What is the SMILES notation for 4-ethylhept-2-ene?
The canonical SMILES for 4-ethylhept-2-ene is CC=CC(CC)CCC.
What is the InChIKey of 4-ethylhept-2-ene?
The InChIKey is TVOTXGYSHQVEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-7-9(6-3)8-5-2/h4,7,9H,5-6,8H2,1-3H3.
What are the key properties of 4-ethylhept-2-ene?
4-ethylhept-2-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhept-2-ene is sourced from PubChem (CID 54449444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).