(2E)-2-octylidenecyclohexan-1-one

C14H24O — CID 6441359

IUPAC(2E)-2-octylidenecyclohexan-1-one
SMILESCCCCCCC/C=C1\CCCCC1=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h10H,2-9,11-12H2,1H3/b13-10+
InChIKeyFOTNXVZRWMBVGZ-JLHYYAGUSA-N
MW208.34 g/mol
LogP4.42
Rot. Bonds6

About (2E)-2-octylidenecyclohexan-1-one

(2E)-2-octylidenecyclohexan-1-one (PubChem CID 6441359) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2E)-2-octylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-octylidenecyclohexan-1-one
PubChem CID6441359
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2E)-2-octylidenecyclohexan-1-one
SMILESCCCCCCC/C=C1\CCCCC1=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h10H,2-9,11-12H2,1H3/b13-10+
InChIKeyFOTNXVZRWMBVGZ-JLHYYAGUSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.42
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-octylidenecyclopentan-1-one
CID 87161532
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
(2Z)-2-(5-hydroxyundecylidene)cycloheptan-1-one
CID 102185079
1,2-di(pentylidene)cyclohexane
CID 11356709
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
(6E)-6-(2-oxocyclohexylidene)hexanoic acid
CID 22987318
2-(6-methylheptylidene)cyclopentan-1-one
CID 139648136
methyl (7E)-7-(2-oxocyclopentylidene)heptanoate
CID 12860075
3-hexylideneazepane-2,7-dione
CID 151725018
1-(furan-2-yl)hexan-1-one;2-hexylidenecyclopentan-1-one
CID 174923138
(3Z)-3-decylideneoxolan-2-one
CID 13315995
dodecylidenecyclobutane
CID 176570971

Frequently Asked Questions

What is the IUPAC name of (2E)-2-octylidenecyclohexan-1-one?
The IUPAC name of (2E)-2-octylidenecyclohexan-1-one (CID 6441359) is (2E)-2-octylidenecyclohexan-1-one.
What is the SMILES notation for (2E)-2-octylidenecyclohexan-1-one?
The canonical SMILES for (2E)-2-octylidenecyclohexan-1-one is CCCCCCC/C=C1\CCCCC1=O.
What is the InChIKey of (2E)-2-octylidenecyclohexan-1-one?
The InChIKey is FOTNXVZRWMBVGZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h10H,2-9,11-12H2,1H3/b13-10+.
What are the key properties of (2E)-2-octylidenecyclohexan-1-one?
(2E)-2-octylidenecyclohexan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-octylidenecyclohexan-1-one is sourced from PubChem (CID 6441359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).