4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one

C15H24O2 — CID 162856071

IUPAC4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one
SMILESCC(=O)CCC=C(C)CC1CC(C)(C)CC1=O
InChIInChI=1S/C15H24O2/c1-11(6-5-7-12(2)16)8-13-9-15(3,4)10-14(13)17/h6,13H,5,7-10H2,1-4H3
InChIKeyQUPFTDWCMKYGQM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.70
Rot. Bonds5

About 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one

4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one (PubChem CID 162856071) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one
PubChem CID162856071
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one
SMILESCC(=O)CCC=C(C)CC1CC(C)(C)CC1=O
InChIInChI=1S/C15H24O2/c1-11(6-5-7-12(2)16)8-13-9-15(3,4)10-14(13)17/h6,13H,5,7-10H2,1-4H3
InChIKeyQUPFTDWCMKYGQM-UHFFFAOYSA-N
XLogP3.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one?
The IUPAC name of 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one (CID 162856071) is 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one.
What is the SMILES notation for 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one?
The canonical SMILES for 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one is CC(=O)CCC=C(C)CC1CC(C)(C)CC1=O.
What is the InChIKey of 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one?
The InChIKey is QUPFTDWCMKYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(6-5-7-12(2)16)8-13-9-15(3,4)10-14(13)17/h6,13H,5,7-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one?
4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methyl-6-oxohept-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 162856071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).