4-dec-1-en-2-yl-1-methylcyclohexene

C17H30 — CID 71334029

IUPAC4-dec-1-en-2-yl-1-methylcyclohexene
SMILESC=C(CCCCCCCC)C1CC=C(C)CC1
InChIInChI=1S/C17H30/c1-4-5-6-7-8-9-10-16(3)17-13-11-15(2)12-14-17/h11,17H,3-10,12-14H2,1-2H3
InChIKeyFCEJPMCCKWAHHR-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.04
Rot. Bonds8

About 4-dec-1-en-2-yl-1-methylcyclohexene

4-dec-1-en-2-yl-1-methylcyclohexene (PubChem CID 71334029) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4-dec-1-en-2-yl-1-methylcyclohexene.

Molecular Properties

Compound Name4-dec-1-en-2-yl-1-methylcyclohexene
PubChem CID71334029
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name4-dec-1-en-2-yl-1-methylcyclohexene
SMILESC=C(CCCCCCCC)C1CC=C(C)CC1
InChIInChI=1S/C17H30/c1-4-5-6-7-8-9-10-16(3)17-13-11-15(2)12-14-17/h11,17H,3-10,12-14H2,1-2H3
InChIKeyFCEJPMCCKWAHHR-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.04
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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Frequently Asked Questions

What is the IUPAC name of 4-dec-1-en-2-yl-1-methylcyclohexene?
The IUPAC name of 4-dec-1-en-2-yl-1-methylcyclohexene (CID 71334029) is 4-dec-1-en-2-yl-1-methylcyclohexene.
What is the SMILES notation for 4-dec-1-en-2-yl-1-methylcyclohexene?
The canonical SMILES for 4-dec-1-en-2-yl-1-methylcyclohexene is C=C(CCCCCCCC)C1CC=C(C)CC1.
What is the InChIKey of 4-dec-1-en-2-yl-1-methylcyclohexene?
The InChIKey is FCEJPMCCKWAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-4-5-6-7-8-9-10-16(3)17-13-11-15(2)12-14-17/h11,17H,3-10,12-14H2,1-2H3.
What are the key properties of 4-dec-1-en-2-yl-1-methylcyclohexene?
4-dec-1-en-2-yl-1-methylcyclohexene has a molecular weight of 234.43 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dec-1-en-2-yl-1-methylcyclohexene is sourced from PubChem (CID 71334029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).