1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione

C14H24O2 — CID 23256271

IUPAC1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione
SMILESCC(=O)CCCC(=O)C1(C)CCCC1(C)C
InChIInChI=1S/C14H24O2/c1-11(15)7-5-8-12(16)14(4)10-6-9-13(14,2)3/h5-10H2,1-4H3
InChIKeyXCERZYSTKVVWRM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.53
Rot. Bonds5

About 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione

1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione (PubChem CID 23256271) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione.

Molecular Properties

Compound Name1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione
PubChem CID23256271
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione
SMILESCC(=O)CCCC(=O)C1(C)CCCC1(C)C
InChIInChI=1S/C14H24O2/c1-11(15)7-5-8-12(16)14(4)10-6-9-13(14,2)3/h5-10H2,1-4H3
InChIKeyXCERZYSTKVVWRM-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[(1S)-1,2,2-trimethylcyclopentyl]hexane-1,5-dione
CID 10752554
1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
CID 45086010
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
CID 167476884
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
N-ethyl-1,2,2-trimethylcyclopentane-1-carboxamide
CID 135255073
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
1-(1,3,3-trimethyl-2-oxocyclohexyl)pentane-1,4-dione
CID 15433055

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione?
The IUPAC name of 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione (CID 23256271) is 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione.
What is the SMILES notation for 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione?
The canonical SMILES for 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione is CC(=O)CCCC(=O)C1(C)CCCC1(C)C.
What is the InChIKey of 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione?
The InChIKey is XCERZYSTKVVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(15)7-5-8-12(16)14(4)10-6-9-13(14,2)3/h5-10H2,1-4H3.
What are the key properties of 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione?
1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione has a molecular weight of 224.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione is sourced from PubChem (CID 23256271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).