2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one

C12H20O4 — CID 13287700

IUPAC2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one
SMILESCOC(OC)C1(C)C(=O)CCC1CC(C)=O
InChIInChI=1S/C12H20O4/c1-8(13)7-9-5-6-10(14)12(9,2)11(15-3)16-4/h9,11H,5-7H2,1-4H3
InChIKeyXBSYRGZVYWLKMB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.57
Rot. Bonds5

About 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one

2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one (PubChem CID 13287700) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one
PubChem CID13287700
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one
SMILESCOC(OC)C1(C)C(=O)CCC1CC(C)=O
InChIInChI=1S/C12H20O4/c1-8(13)7-9-5-6-10(14)12(9,2)11(15-3)16-4/h9,11H,5-7H2,1-4H3
InChIKeyXBSYRGZVYWLKMB-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl[2-(2,2-dimethoxyethyl)-3-oxocyclopentyl]acetate
CID 72988237
(1S,3aR,9aR)-1-(2,2-dimethoxyethyl)-2,3,3a,4,6,7,8,9a-octahydro-1H-cyclopenta[8]annulene-5,9-dione
CID 102056657
Methyl 4,4-dimethyl-3-oxo-2-(3-oxocyclopentyl)pentanoate
CID 134999972
3a-(2,2-Dimethoxyethyl)hexahydro-1,5-pentalenedione
CID 554398
1-[2-(Dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone
CID 14980058
3-[Bis(methoxycarbonyl)methyl]-4, 4-dimethylcyclopentanone
CID 10399470
3-Butyl-2-(dimethoxymethyl)cyclopentan-1-one
CID 12698319
3-(Dimethoxymethyl)-2-pentylcyclopentan-1-one
CID 22184376
Dimethyl [2-(2,2-dimethoxyethyl)-3-oxocyclopentyl]malonate
CID 67423893
2-[2-(2,2-Dimethoxyethyl)-1-methyl-3-oxocyclopentyl]-2-methylpropanedioic acid
CID 67423895
dimethyl 2-[(1S)-2-(2,2-dimethoxyethyl)-3-oxocyclopentyl]propanedioate
CID 67424170
2-[(1S)-2-(2,2-dimethoxyethyl)-1-methyl-3-oxocyclopentyl]-2-methylpropanedioic acid
CID 67424171

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one?
The IUPAC name of 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one (CID 13287700) is 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one.
What is the SMILES notation for 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one?
The canonical SMILES for 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one is COC(OC)C1(C)C(=O)CCC1CC(C)=O.
What is the InChIKey of 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one?
The InChIKey is XBSYRGZVYWLKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-8(13)7-9-5-6-10(14)12(9,2)11(15-3)16-4/h9,11H,5-7H2,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one?
2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one has a molecular weight of 228.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-2-methyl-3-(2-oxopropyl)cyclopentan-1-one is sourced from PubChem (CID 13287700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).