1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone

C12H22O3 — CID 14980058

IUPAC1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone
SMILESCOC(OC)C1CC(C)(C)CC1C(C)=O
InChIInChI=1S/C12H22O3/c1-8(13)9-6-12(2,3)7-10(9)11(14-4)15-5/h9-11H,6-7H2,1-5H3
InChIKeyOSIWNEIDXZGGRE-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone

1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone (PubChem CID 14980058) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone
PubChem CID14980058
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone
SMILESCOC(OC)C1CC(C)(C)CC1C(C)=O
InChIInChI=1S/C12H22O3/c1-8(13)9-6-12(2,3)7-10(9)11(14-4)15-5/h9-11H,6-7H2,1-5H3
InChIKeyOSIWNEIDXZGGRE-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S,3S,3aR,4R,6aS)-3-ethoxy-6a-methyl-4-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-1-yl]butan-2-one
CID 162947010
1-[(1S,3R)-3-(2,2-dimethoxyethyl)-2,2-dimethyl-cyclopropyl]propan-2-one
CID 10998383
1-[3-(2,2-Dimethoxyethyl)-2,2-dimethylcyclopropyl]propan-2-one
CID 13023730
(1R,3aR,7aR)-1-[(1S)-2,2-Dimethoxy-1-methylethyl]octahydro-7a-methyl-4H-inden-4-one
CID 59153470
3-(2,2-Dimethoxyethyl)octan-2-one
CID 25062093
4-[(1S,3R)-3-(dimethoxymethyl)-2,2-dimethylcyclopropyl]butan-2-one
CID 12835799
(5R,6S)-6-tert-butyl-3-methoxy-2-oxaspiro[4.4]nonan-9-one
CID 13990670
(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
(3r,5s)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanon
CID 15348631
(3r,5r)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanon
CID 15348632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone?
The IUPAC name of 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone (CID 14980058) is 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone.
What is the SMILES notation for 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone?
The canonical SMILES for 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone is COC(OC)C1CC(C)(C)CC1C(C)=O.
What is the InChIKey of 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone?
The InChIKey is OSIWNEIDXZGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-8(13)9-6-12(2,3)7-10(9)11(14-4)15-5/h9-11H,6-7H2,1-5H3.
What are the key properties of 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone?
1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone has a molecular weight of 214.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone is sourced from PubChem (CID 14980058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).