[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone

C15H18O — CID 177309073

IUPAC[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CC/C=C\CCC1
InChIInChI=1S/C15H18O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,11-13H,3,5-6,9-10H2/b2-1-
InChIKeyISTKIKFRKJHNSO-UPHRSURJSA-N
MW214.31 g/mol
LogP4.01
Rot. Bonds2

About [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone

[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone (PubChem CID 177309073) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
PubChem CID177309073
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CC/C=C\CCC1
InChIInChI=1S/C15H18O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,11-13H,3,5-6,9-10H2/b2-1-
InChIKeyISTKIKFRKJHNSO-UPHRSURJSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
CID 165038492
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone
CID 91417064
2-[4-(cyclopentanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731368
cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
CID 159892140
2-[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139730836
oxan-3-yl(phenyl)methanone
CID 63011351

Frequently Asked Questions

What is the IUPAC name of [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone?
The IUPAC name of [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone (CID 177309073) is [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone.
What is the SMILES notation for [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone?
The canonical SMILES for [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone is O=C(c1ccccc1)C1CC/C=C\CCC1.
What is the InChIKey of [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone?
The InChIKey is ISTKIKFRKJHNSO-UPHRSURJSA-N. The full InChI is InChI=1S/C15H18O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,11-13H,3,5-6,9-10H2/b2-1-.
What are the key properties of [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone?
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone has a molecular weight of 214.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-cyclooct-4-en-1-yl]-phenylmethanone is sourced from PubChem (CID 177309073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).