methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate

C11H18O5 — CID 134841247

IUPACmethyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CC=O)CCC(OC)(OC)C1
InChIInChI=1S/C11H18O5/c1-14-9(13)10(6-7-12)4-5-11(8-10,15-2)16-3/h7H,4-6,8H2,1-3H3
InChIKeyQXCRSBYUSFKDKZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.91
Rot. Bonds5

About methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate

methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate (PubChem CID 134841247) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate
PubChem CID134841247
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CC=O)CCC(OC)(OC)C1
InChIInChI=1S/C11H18O5/c1-14-9(13)10(6-7-12)4-5-11(8-10,15-2)16-3/h7H,4-6,8H2,1-3H3
InChIKeyQXCRSBYUSFKDKZ-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate 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

methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813510
methyl (1S,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135037971
Methyl 1-isopropyl-3,3-dimethoxycyclopentane-1-carboxylate
CID 23533666
3,3-Dimethoxy-1-methylcyclopentane-1-carboxylic acid
CID 59888740
Tert-butyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
CID 59888741
Methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
CID 59888743
methyl (1S)-3,3-dimethoxy-1-propan-2-ylcyclopentane-1-carboxylate
CID 60122292
1-(2-Acetyloxyethyl)-3,3-dimethoxycyclopentane-1-carboxylic acid
CID 69649912

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate (CID 134841247) is methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate is COC(=O)C1(CC=O)CCC(OC)(OC)C1.
What is the InChIKey of methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate?
The InChIKey is QXCRSBYUSFKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-14-9(13)10(6-7-12)4-5-11(8-10,15-2)16-3/h7H,4-6,8H2,1-3H3.
What are the key properties of methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate?
methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 134841247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).