2-[(4-hexylphenyl)methylidene]cyclohexan-1-one

C19H26O — CID 68643084

IUPAC2-[(4-hexylphenyl)methylidene]cyclohexan-1-one
SMILESCCCCCCc1ccc(C=C2CCCCC2=O)cc1
InChIInChI=1S/C19H26O/c1-2-3-4-5-8-16-11-13-17(14-12-16)15-18-9-6-7-10-19(18)20/h11-15H,2-10H2,1H3
InChIKeyKVPBTIBBEKSHOT-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.34
Rot. Bonds6

About 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one

2-[(4-hexylphenyl)methylidene]cyclohexan-1-one (PubChem CID 68643084) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-hexylphenyl)methylidene]cyclohexan-1-one
PubChem CID68643084
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2-[(4-hexylphenyl)methylidene]cyclohexan-1-one
SMILESCCCCCCc1ccc(C=C2CCCCC2=O)cc1
InChIInChI=1S/C19H26O/c1-2-3-4-5-8-16-11-13-17(14-12-16)15-18-9-6-7-10-19(18)20/h11-15H,2-10H2,1H3
InChIKeyKVPBTIBBEKSHOT-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-butylphenyl)methylidene]cyclohexan-1-one
CID 68642737
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 54228214
(3E,5R)-3-[[4-(4-heptylphenyl)phenyl]methylidene]-5-hexyloxolan-2-one
CID 10993745
(2E)-2-[(4-chlorophenyl)methylidene]cyclooctan-1-one
CID 12682640
1-butyl-4-nonylbenzene
CID 59545302
2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one
CID 5189711
2,6-bis[(4-hexoxyphenyl)methylidene]cyclohexan-1-one
CID 69497980
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
ethane;4-pentylbenzaldehyde
CID 143882863
1-ethenyl-4-hexylbenzene
CID 21225742
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
2-(4-dodecylphenyl)acetaldehyde
CID 175020639

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one (CID 68643084) is 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one is CCCCCCc1ccc(C=C2CCCCC2=O)cc1.
What is the InChIKey of 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is KVPBTIBBEKSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-2-3-4-5-8-16-11-13-17(14-12-16)15-18-9-6-7-10-19(18)20/h11-15H,2-10H2,1H3.
What are the key properties of 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one?
2-[(4-hexylphenyl)methylidene]cyclohexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hexylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68643084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).