3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one

C12H20O2 — CID 130506964

IUPAC3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one
SMILESCC(C(=O)C1CCC(=O)C1)C(C)(C)C
InChIInChI=1S/C12H20O2/c1-8(12(2,3)4)11(14)9-5-6-10(13)7-9/h8-9H,5-7H2,1-4H3
InChIKeyGIWBUTDKFBIPPR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.61
Rot. Bonds2

About 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one

3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one (PubChem CID 130506964) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one
PubChem CID130506964
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one
SMILESCC(C(=O)C1CCC(=O)C1)C(C)(C)C
InChIInChI=1S/C12H20O2/c1-8(12(2,3)4)11(14)9-5-6-10(13)7-9/h8-9H,5-7H2,1-4H3
InChIKeyGIWBUTDKFBIPPR-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
CID 162030
1,2-Cyclopentanedione, 3,4,4-trimethyl-
CID 118027
4-Octylcyclopentane-1,3-dione
CID 180441
4-Hexylcyclopentane-1,3-dione
CID 14391671
6,6-Dimethyl-2,5,10-undecanetrione
CID 39675
Cyclopentanone, 2-(1-methylpropyl)-
CID 558511
Isoacorone
CID 11402120
Ethanone, 1-(2,2-dimethylcyclopentyl)-
CID 537088
2-Tert-butylcyclopentan-1-one
CID 12400469
3-Isopropyl-1,2-cyclopentanedione
CID 12914412
Epiacorone
CID 98934
Acorone
CID 5316254

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one?
The IUPAC name of 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one (CID 130506964) is 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one?
The canonical SMILES for 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one is CC(C(=O)C1CCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one?
The InChIKey is GIWBUTDKFBIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(12(2,3)4)11(14)9-5-6-10(13)7-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one?
3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3-trimethylbutanoyl)cyclopentan-1-one is sourced from PubChem (CID 130506964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).