2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one

C9H14O3 — CID 13112444

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one
SMILESCC1(C2CCCC2=O)OCCO1
InChIInChI=1S/C9H14O3/c1-9(11-5-6-12-9)7-3-2-4-8(7)10/h7H,2-6H2,1H3
InChIKeyCRJJLTPVGUWHIY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds1

About 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one

2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one (PubChem CID 13112444) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one
PubChem CID13112444
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one
SMILESCC1(C2CCCC2=O)OCCO1
InChIInChI=1S/C9H14O3/c1-9(11-5-6-12-9)7-3-2-4-8(7)10/h7H,2-6H2,1H3
InChIKeyCRJJLTPVGUWHIY-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11,11-dimethylbicyclo[5.3.1]undec-6-en-2-one
CID 24975296
(1R,6S)-7,7-dimethylbicyclo[4.1.0]heptan-2-one
CID 100979863
(5S)-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 143298667
trans-(2S,3S)-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cycloheptan-1-one
CID 131844605
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
(4aS,8aR)-4a,6-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-one
CID 11535664
3-methyl-3-(2-oxocyclohexyl)cyclohexan-1-one
CID 100969318
2,2-dimethyloxolan-3-one
CID 13010294
(3aR,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 59084008
2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
CID 114621794
(4'aR,5'R,8'aR)-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydro-2H-naphthalene]-1'-one
CID 135131074
ethane;2-(hydroxymethyl)cyclopentan-1-one
CID 144825908

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one (CID 13112444) is 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one is CC1(C2CCCC2=O)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one?
The InChIKey is CRJJLTPVGUWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(11-5-6-12-9)7-3-2-4-8(7)10/h7H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one?
2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one is sourced from PubChem (CID 13112444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).