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

C13H22O3 — CID 15122652

IUPAC3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one
SMILESCC1(CC(C)(C)C2CCC(=O)C2)OCCO1
InChIInChI=1S/C13H22O3/c1-12(2,10-4-5-11(14)8-10)9-13(3)15-6-7-16-13/h10H,4-9H2,1-3H3
InChIKeyZHYAJVRUJHGQCH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.53
Rot. Bonds3

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

3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one (PubChem CID 15122652) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one
PubChem CID15122652
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one
SMILESCC1(CC(C)(C)C2CCC(=O)C2)OCCO1
InChIInChI=1S/C13H22O3/c1-12(2,10-4-5-11(14)8-10)9-13(3)15-6-7-16-13/h10H,4-9H2,1-3H3
InChIKeyZHYAJVRUJHGQCH-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxadispiro[4.1.4^{7}.3^{5}]tetradecan-12-one
CID 118971466
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
7,10-Dioxadispiro[4.0.46.45]tetradecan-4-one
CID 85857823
7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylheptan-3-one
CID 11791366
3-[2-(1,3-Dioxolan-2-yl)ethyl]-3-methylcyclohexan-1-one
CID 12452561
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 12452563
1-(1,4-Dioxaspiro[4.4]nonan-9-yl)butan-2-one
CID 15122653
(1r,4s)-2-((2,2,4-Trimethyl-3-oxocyclopentyl)methyl)-1,3-dioxolan
CID 15143303
(1r,4r)-2-((2,2,4-Trimethyl-3-oxocyclopentyl)methyl)-1,3-dioxolan
CID 15143304
3-[(1,3-Dioxolan-2-yl)methyl]-2,2,5-trimethylcyclopentan-1-one
CID 15143305
1-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]propan-2-one
CID 44603762
(3aR,8aS)-spiro[1,3,3a,4,5,7,8,8a-octahydroazulene-6,2'-1,3-dioxolane]-2-one
CID 71681758

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one?
The IUPAC name of 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one (CID 15122652) is 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one?
The canonical SMILES for 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one is CC1(CC(C)(C)C2CCC(=O)C2)OCCO1.
What is the InChIKey of 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one?
The InChIKey is ZHYAJVRUJHGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-12(2,10-4-5-11(14)8-10)9-13(3)15-6-7-16-13/h10H,4-9H2,1-3H3.
What are the key properties of 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one?
3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one is sourced from PubChem (CID 15122652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).