2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one

C18H26O — CID 3016281

IUPAC2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one
SMILESO=C1C(=C2CCCCC2)CCCC1C1=CCCCC1
InChIInChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,16H,1-7,9-13H2
InChIKeyHYUPSGGKJPMYLH-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.12
Rot. Bonds1

About 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one

2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one (PubChem CID 3016281) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one
PubChem CID3016281
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one
SMILESO=C1C(=C2CCCCC2)CCCC1C1=CCCCC1
InChIInChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,16H,1-7,9-13H2
InChIKeyHYUPSGGKJPMYLH-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one?
The IUPAC name of 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one (CID 3016281) is 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one.
What is the SMILES notation for 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one?
The canonical SMILES for 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one is O=C1C(=C2CCCCC2)CCCC1C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one?
The InChIKey is HYUPSGGKJPMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,16H,1-7,9-13H2.
What are the key properties of 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one?
2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one has a molecular weight of 258.40 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one is sourced from PubChem (CID 3016281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).