1-cyclohexyl-3-methylidenepentan-1-one

C12H20O — CID 14809462

IUPAC1-cyclohexyl-3-methylidenepentan-1-one
SMILESC=C(CC)CC(=O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h11H,2-9H2,1H3
InChIKeyDAFOJKCVANFVTK-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds4

About 1-cyclohexyl-3-methylidenepentan-1-one

1-cyclohexyl-3-methylidenepentan-1-one (PubChem CID 14809462) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylidenepentan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methylidenepentan-1-one
PubChem CID14809462
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-cyclohexyl-3-methylidenepentan-1-one
SMILESC=C(CC)CC(=O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h11H,2-9H2,1H3
InChIKeyDAFOJKCVANFVTK-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylidenepentan-1-one?
The IUPAC name of 1-cyclohexyl-3-methylidenepentan-1-one (CID 14809462) is 1-cyclohexyl-3-methylidenepentan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-methylidenepentan-1-one?
The canonical SMILES for 1-cyclohexyl-3-methylidenepentan-1-one is C=C(CC)CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylidenepentan-1-one?
The InChIKey is DAFOJKCVANFVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h11H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-3-methylidenepentan-1-one?
1-cyclohexyl-3-methylidenepentan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylidenepentan-1-one is sourced from PubChem (CID 14809462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).