2-pentan-3-yloxolane-3-carboxylic acid

C10H18O3 — CID 79367564

IUPAC2-pentan-3-yloxolane-3-carboxylic acid
SMILESCCC(CC)C1OCCC1C(=O)O
InChIInChI=1S/C10H18O3/c1-3-7(4-2)9-8(10(11)12)5-6-13-9/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyONBPHQUBNFDTEH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds4

About 2-pentan-3-yloxolane-3-carboxylic acid

2-pentan-3-yloxolane-3-carboxylic acid (PubChem CID 79367564) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-pentan-3-yloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-pentan-3-yloxolane-3-carboxylic acid
PubChem CID79367564
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-pentan-3-yloxolane-3-carboxylic acid
SMILESCCC(CC)C1OCCC1C(=O)O
InChIInChI=1S/C10H18O3/c1-3-7(4-2)9-8(10(11)12)5-6-13-9/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyONBPHQUBNFDTEH-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-pentan-3-yloxolane-3-carboxylic acid 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 2-pentan-3-yloxolane-3-carboxylic acid?
The IUPAC name of 2-pentan-3-yloxolane-3-carboxylic acid (CID 79367564) is 2-pentan-3-yloxolane-3-carboxylic acid.
What is the SMILES notation for 2-pentan-3-yloxolane-3-carboxylic acid?
The canonical SMILES for 2-pentan-3-yloxolane-3-carboxylic acid is CCC(CC)C1OCCC1C(=O)O.
What is the InChIKey of 2-pentan-3-yloxolane-3-carboxylic acid?
The InChIKey is ONBPHQUBNFDTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-7(4-2)9-8(10(11)12)5-6-13-9/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-pentan-3-yloxolane-3-carboxylic acid?
2-pentan-3-yloxolane-3-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yloxolane-3-carboxylic acid is sourced from PubChem (CID 79367564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).