methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate

C10H18O3 — CID 67858041

IUPACmethyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
SMILESCCCC1(C(=O)OC)CCC(O)C1
InChIInChI=1S/C10H18O3/c1-3-5-10(9(12)13-2)6-4-8(11)7-10/h8,11H,3-7H2,1-2H3
InChIKeyFZDQZTIKAFXJGT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds3

About methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate

methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate (PubChem CID 67858041) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
PubChem CID67858041
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
SMILESCCCC1(C(=O)OC)CCC(O)C1
InChIInChI=1S/C10H18O3/c1-3-5-10(9(12)13-2)6-4-8(11)7-10/h8,11H,3-7H2,1-2H3
InChIKeyFZDQZTIKAFXJGT-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-hydroxy-1-propylcyclopentane-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-hydroxy-1-propylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate (CID 67858041) is methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate is CCCC1(C(=O)OC)CCC(O)C1.
What is the InChIKey of methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate?
The InChIKey is FZDQZTIKAFXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-10(9(12)13-2)6-4-8(11)7-10/h8,11H,3-7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate?
methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate is sourced from PubChem (CID 67858041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).