oxolan-2-ylmethyl oxolane-2-carboxylate

C10H16O4 — CID 14505178

IUPACoxolan-2-ylmethyl oxolane-2-carboxylate
SMILESO=C(OCC1CCCO1)C1CCCO1
InChIInChI=1S/C10H16O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h8-9H,1-7H2
InChIKeyLGWFUHPGJWCWHX-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.89
Rot. Bonds3

About oxolan-2-ylmethyl oxolane-2-carboxylate

oxolan-2-ylmethyl oxolane-2-carboxylate (PubChem CID 14505178) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is oxolan-2-ylmethyl oxolane-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl oxolane-2-carboxylate
PubChem CID14505178
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameoxolan-2-ylmethyl oxolane-2-carboxylate
SMILESO=C(OCC1CCCO1)C1CCCO1
InChIInChI=1S/C10H16O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h8-9H,1-7H2
InChIKeyLGWFUHPGJWCWHX-UHFFFAOYSA-N
XLogP0.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxolan-2-ylmethyl oxolane-2-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 oxolan-2-ylmethyl oxolane-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl oxolane-2-carboxylate (CID 14505178) is oxolan-2-ylmethyl oxolane-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl oxolane-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl oxolane-2-carboxylate is O=C(OCC1CCCO1)C1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl oxolane-2-carboxylate?
The InChIKey is LGWFUHPGJWCWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h8-9H,1-7H2.
What are the key properties of oxolan-2-ylmethyl oxolane-2-carboxylate?
oxolan-2-ylmethyl oxolane-2-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl oxolane-2-carboxylate is sourced from PubChem (CID 14505178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).