2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one

C22H32O2 — CID 66742080

IUPAC2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one
SMILESO=C(C=CC1CCCCC1)C1CCCC(=CC2CCCCC2)C1=O
InChIInChI=1S/C22H32O2/c23-21(15-14-17-8-3-1-4-9-17)20-13-7-12-19(22(20)24)16-18-10-5-2-6-11-18/h14-18,20H,1-13H2
InChIKeyNOFSHBZIDBTVSD-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.57
Rot. Bonds4

About 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one

2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one (PubChem CID 66742080) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one
PubChem CID66742080
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one
SMILESO=C(C=CC1CCCCC1)C1CCCC(=CC2CCCCC2)C1=O
InChIInChI=1S/C22H32O2/c23-21(15-14-17-8-3-1-4-9-17)20-13-7-12-19(22(20)24)16-18-10-5-2-6-11-18/h14-18,20H,1-13H2
InChIKeyNOFSHBZIDBTVSD-UHFFFAOYSA-N
XLogP5.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one?
The IUPAC name of 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one (CID 66742080) is 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one.
What is the SMILES notation for 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one?
The canonical SMILES for 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one is O=C(C=CC1CCCCC1)C1CCCC(=CC2CCCCC2)C1=O.
What is the InChIKey of 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one?
The InChIKey is NOFSHBZIDBTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c23-21(15-14-17-8-3-1-4-9-17)20-13-7-12-19(22(20)24)16-18-10-5-2-6-11-18/h14-18,20H,1-13H2.
What are the key properties of 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one?
2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one has a molecular weight of 328.50 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylidene)-6-(3-cyclohexylprop-2-enoyl)cyclohexan-1-one is sourced from PubChem (CID 66742080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).