1-cyclohexylidenenon-8-en-2-one

C15H24O — CID 107008455

IUPAC1-cyclohexylidenenon-8-en-2-one
SMILESC=CCCCCCC(=O)C=C1CCCCC1
InChIInChI=1S/C15H24O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h2,13H,1,3-12H2
InChIKeyJIYXZIUCFBMTAV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.58
Rot. Bonds7

About 1-cyclohexylidenenon-8-en-2-one

1-cyclohexylidenenon-8-en-2-one (PubChem CID 107008455) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-cyclohexylidenenon-8-en-2-one.

Molecular Properties

Compound Name1-cyclohexylidenenon-8-en-2-one
PubChem CID107008455
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-cyclohexylidenenon-8-en-2-one
SMILESC=CCCCCCC(=O)C=C1CCCCC1
InChIInChI=1S/C15H24O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h2,13H,1,3-12H2
InChIKeyJIYXZIUCFBMTAV-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidenenon-8-en-2-one?
The IUPAC name of 1-cyclohexylidenenon-8-en-2-one (CID 107008455) is 1-cyclohexylidenenon-8-en-2-one.
What is the SMILES notation for 1-cyclohexylidenenon-8-en-2-one?
The canonical SMILES for 1-cyclohexylidenenon-8-en-2-one is C=CCCCCCC(=O)C=C1CCCCC1.
What is the InChIKey of 1-cyclohexylidenenon-8-en-2-one?
The InChIKey is JIYXZIUCFBMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h2,13H,1,3-12H2.
What are the key properties of 1-cyclohexylidenenon-8-en-2-one?
1-cyclohexylidenenon-8-en-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidenenon-8-en-2-one is sourced from PubChem (CID 107008455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).