(2Z)-2-octylidenecyclopentan-1-one

C13H22O — CID 87161532

IUPAC(2Z)-2-octylidenecyclopentan-1-one
SMILESCCCCCCC/C=C1/CCCC1=O
InChIInChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h9H,2-8,10-11H2,1H3/b12-9-
InChIKeyWWHQKPBWGGRGPU-XFXZXTDPSA-N
MW194.32 g/mol
LogP4.03
Rot. Bonds6

About (2Z)-2-octylidenecyclopentan-1-one

(2Z)-2-octylidenecyclopentan-1-one (PubChem CID 87161532) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z)-2-octylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-octylidenecyclopentan-1-one
PubChem CID87161532
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2Z)-2-octylidenecyclopentan-1-one
SMILESCCCCCCC/C=C1/CCCC1=O
InChIInChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h9H,2-8,10-11H2,1H3/b12-9-
InChIKeyWWHQKPBWGGRGPU-XFXZXTDPSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.03
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

(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one
CID 102185079
2-(6-methylheptylidene)cyclopentan-1-one
CID 139648136
3-hexylideneazepane-2,7-dione
CID 151725018
methyl (7E)-7-(2-oxocyclopentylidene)heptanoate
CID 12860075
1-(furan-2-yl)hexan-1-one;2-hexylidenecyclopentan-1-one
CID 174923138
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
1,2-di(pentylidene)cyclohexane
CID 11356709
(6E)-6-(2-oxocyclohexylidene)hexanoic acid
CID 22987318

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-octylidenecyclopentan-1-one?
The IUPAC name of (2Z)-2-octylidenecyclopentan-1-one (CID 87161532) is (2Z)-2-octylidenecyclopentan-1-one.
What is the SMILES notation for (2Z)-2-octylidenecyclopentan-1-one?
The canonical SMILES for (2Z)-2-octylidenecyclopentan-1-one is CCCCCCC/C=C1/CCCC1=O.
What is the InChIKey of (2Z)-2-octylidenecyclopentan-1-one?
The InChIKey is WWHQKPBWGGRGPU-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h9H,2-8,10-11H2,1H3/b12-9-.
What are the key properties of (2Z)-2-octylidenecyclopentan-1-one?
(2Z)-2-octylidenecyclopentan-1-one has a molecular weight of 194.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-octylidenecyclopentan-1-one is sourced from PubChem (CID 87161532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).