1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one

C13H20O — CID 154169281

IUPAC1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one
SMILESCC=CCCC(=O)C1=CCC(C)(C)C1
InChIInChI=1S/C13H20O/c1-4-5-6-7-12(14)11-8-9-13(2,3)10-11/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeySSKLXLZYWVTLLS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.66
Rot. Bonds4

About 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one

1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one (PubChem CID 154169281) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one
PubChem CID154169281
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one
SMILESCC=CCCC(=O)C1=CCC(C)(C)C1
InChIInChI=1S/C13H20O/c1-4-5-6-7-12(14)11-8-9-13(2,3)10-11/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeySSKLXLZYWVTLLS-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.66
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-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one?
The IUPAC name of 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one (CID 154169281) is 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one.
What is the SMILES notation for 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one?
The canonical SMILES for 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one is CC=CCCC(=O)C1=CCC(C)(C)C1.
What is the InChIKey of 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one?
The InChIKey is SSKLXLZYWVTLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-7-12(14)11-8-9-13(2,3)10-11/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one?
1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one is sourced from PubChem (CID 154169281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).