methyl 3-methoxy-1-methylcyclopentane-1-carboxylate

C9H16O3 — CID 141171024

IUPACmethyl 3-methoxy-1-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(OC)C1
InChIInChI=1S/C9H16O3/c1-9(8(10)12-3)5-4-7(6-9)11-2/h7H,4-6H2,1-3H3
InChIKeyVOUHIVQLCVEPIP-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds2

About methyl 3-methoxy-1-methylcyclopentane-1-carboxylate

methyl 3-methoxy-1-methylcyclopentane-1-carboxylate (PubChem CID 141171024) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 3-methoxy-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-1-methylcyclopentane-1-carboxylate
PubChem CID141171024
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 3-methoxy-1-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(OC)C1
InChIInChI=1S/C9H16O3/c1-9(8(10)12-3)5-4-7(6-9)11-2/h7H,4-6H2,1-3H3
InChIKeyVOUHIVQLCVEPIP-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-methoxy-1-methylcyclopentane-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-1-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3-methoxy-1-methylcyclopentane-1-carboxylate (CID 141171024) is methyl 3-methoxy-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-methoxy-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-methoxy-1-methylcyclopentane-1-carboxylate is COC(=O)C1(C)CCC(OC)C1.
What is the InChIKey of methyl 3-methoxy-1-methylcyclopentane-1-carboxylate?
The InChIKey is VOUHIVQLCVEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(8(10)12-3)5-4-7(6-9)11-2/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3-methoxy-1-methylcyclopentane-1-carboxylate?
methyl 3-methoxy-1-methylcyclopentane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 141171024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).