2,3,3-trimethylcyclopentan-1-one

C8H14O — CID 12842713

IUPAC2,3,3-trimethylcyclopentan-1-one
SMILESCC1C(=O)CCC1(C)C
InChIInChI=1S/C8H14O/c1-6-7(9)4-5-8(6,2)3/h6H,4-5H2,1-3H3
InChIKeyRZQRIBYBTHKBPK-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds

About 2,3,3-trimethylcyclopentan-1-one

2,3,3-trimethylcyclopentan-1-one (PubChem CID 12842713) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,3,3-trimethylcyclopentan-1-one.

Molecular Properties

Compound Name2,3,3-trimethylcyclopentan-1-one
PubChem CID12842713
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,3,3-trimethylcyclopentan-1-one
SMILESCC1C(=O)CCC1(C)C
InChIInChI=1S/C8H14O/c1-6-7(9)4-5-8(6,2)3/h6H,4-5H2,1-3H3
InChIKeyRZQRIBYBTHKBPK-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,4,4-pentamethylcyclohexan-1-one
CID 130436364
trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one
CID 130993027
(1R,6S)-5,5-dimethylbicyclo[4.2.0]octane-2,7-dione
CID 131856739
trans-(2S,3S)-2,3-dichloro-4,4-dimethylcyclohexan-1-one
CID 131008363
(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one
CID 15973276
trans-(2R,3R)-3-ethyl-3-hydroxy-2,4,4-trimethylcyclohexan-1-one
CID 167092961
CID 10485503
CID 10485503
(3aS)-3a,6,6-trimethyl-3,4,5,6a-tetrahydro-2H-pentalen-1-one
CID 155116057
ethane;2,2,3,4,4-pentamethylcyclohexan-1-one
CID 144627113
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
(1R,4aR,7R,8aR)-7,8a-dihydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 164781652
1-hydroxy-5,5,6-trimethylpiperidin-2-one
CID 102314658

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylcyclopentan-1-one?
The IUPAC name of 2,3,3-trimethylcyclopentan-1-one (CID 12842713) is 2,3,3-trimethylcyclopentan-1-one.
What is the SMILES notation for 2,3,3-trimethylcyclopentan-1-one?
The canonical SMILES for 2,3,3-trimethylcyclopentan-1-one is CC1C(=O)CCC1(C)C.
What is the InChIKey of 2,3,3-trimethylcyclopentan-1-one?
The InChIKey is RZQRIBYBTHKBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-7(9)4-5-8(6,2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2,3,3-trimethylcyclopentan-1-one?
2,3,3-trimethylcyclopentan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylcyclopentan-1-one is sourced from PubChem (CID 12842713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).