1-cyclohexylidenetetradecan-2-one

C20H36O — CID 103457909

IUPAC1-cyclohexylidenetetradecan-2-one
SMILESCCCCCCCCCCCCC(=O)C=C1CCCCC1
InChIInChI=1S/C20H36O/c1-2-3-4-5-6-7-8-9-10-14-17-20(21)18-19-15-12-11-13-16-19/h18H,2-17H2,1H3
InChIKeyAZFVDNXZHPCJRV-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.76
Rot. Bonds12

About 1-cyclohexylidenetetradecan-2-one

1-cyclohexylidenetetradecan-2-one (PubChem CID 103457909) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-cyclohexylidenetetradecan-2-one.

Molecular Properties

Compound Name1-cyclohexylidenetetradecan-2-one
PubChem CID103457909
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-cyclohexylidenetetradecan-2-one
SMILESCCCCCCCCCCCCC(=O)C=C1CCCCC1
InChIInChI=1S/C20H36O/c1-2-3-4-5-6-7-8-9-10-14-17-20(21)18-19-15-12-11-13-16-19/h18H,2-17H2,1H3
InChIKeyAZFVDNXZHPCJRV-UHFFFAOYSA-N
XLogP6.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.76
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidenetetradecan-2-one?
The IUPAC name of 1-cyclohexylidenetetradecan-2-one (CID 103457909) is 1-cyclohexylidenetetradecan-2-one.
What is the SMILES notation for 1-cyclohexylidenetetradecan-2-one?
The canonical SMILES for 1-cyclohexylidenetetradecan-2-one is CCCCCCCCCCCCC(=O)C=C1CCCCC1.
What is the InChIKey of 1-cyclohexylidenetetradecan-2-one?
The InChIKey is AZFVDNXZHPCJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-2-3-4-5-6-7-8-9-10-14-17-20(21)18-19-15-12-11-13-16-19/h18H,2-17H2,1H3.
What are the key properties of 1-cyclohexylidenetetradecan-2-one?
1-cyclohexylidenetetradecan-2-one has a molecular weight of 292.51 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidenetetradecan-2-one is sourced from PubChem (CID 103457909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).