1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene

C18H24 — CID 91042772

IUPAC1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene
SMILESCC1CC=C(C2(C3=CCCCC3)C=CC=C2)CC1
InChIInChI=1S/C18H24/c1-15-9-11-17(12-10-15)18(13-5-6-14-18)16-7-3-2-4-8-16/h5-7,11,13-15H,2-4,8-10,12H2,1H3
InChIKeyNFRFSZCAEXJFLT-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.35
Rot. Bonds2

About 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene

1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene (PubChem CID 91042772) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene.

Molecular Properties

Compound Name1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene
PubChem CID91042772
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene
SMILESCC1CC=C(C2(C3=CCCCC3)C=CC=C2)CC1
InChIInChI=1S/C18H24/c1-15-9-11-17(12-10-15)18(13-5-6-14-18)16-7-3-2-4-8-16/h5-7,11,13-15H,2-4,8-10,12H2,1H3
InChIKeyNFRFSZCAEXJFLT-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene?
The IUPAC name of 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene (CID 91042772) is 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene.
What is the SMILES notation for 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene?
The canonical SMILES for 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene is CC1CC=C(C2(C3=CCCCC3)C=CC=C2)CC1.
What is the InChIKey of 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene?
The InChIKey is NFRFSZCAEXJFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-15-9-11-17(12-10-15)18(13-5-6-14-18)16-7-3-2-4-8-16/h5-7,11,13-15H,2-4,8-10,12H2,1H3.
What are the key properties of 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene?
1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene has a molecular weight of 240.39 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene is sourced from PubChem (CID 91042772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).