2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid

C10H18O4 — CID 18432791

IUPAC2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid
SMILESCCOC1(CC)OCCC1CC(=O)O
InChIInChI=1S/C10H18O4/c1-3-10(13-4-2)8(5-6-14-10)7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyIOSXFNSATFVZNX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid

2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid (PubChem CID 18432791) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid
PubChem CID18432791
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid
SMILESCCOC1(CC)OCCC1CC(=O)O
InChIInChI=1S/C10H18O4/c1-3-10(13-4-2)8(5-6-14-10)7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyIOSXFNSATFVZNX-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic 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-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid?
The IUPAC name of 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid (CID 18432791) is 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid is CCOC1(CC)OCCC1CC(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid?
The InChIKey is IOSXFNSATFVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(13-4-2)8(5-6-14-10)7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid?
2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-ethyloxolan-3-yl)acetic acid is sourced from PubChem (CID 18432791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).