cyclopropyl oxane-4-carboxylate

C9H14O3 — CID 23131614

IUPACcyclopropyl oxane-4-carboxylate
SMILESO=C(OC1CC1)C1CCOCC1
InChIInChI=1S/C9H14O3/c10-9(12-8-1-2-8)7-3-5-11-6-4-7/h7-8H,1-6H2
InChIKeyGZIPNQSRJWXNLJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds2

About cyclopropyl oxane-4-carboxylate

cyclopropyl oxane-4-carboxylate (PubChem CID 23131614) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is cyclopropyl oxane-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl oxane-4-carboxylate
PubChem CID23131614
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namecyclopropyl oxane-4-carboxylate
SMILESO=C(OC1CC1)C1CCOCC1
InChIInChI=1S/C9H14O3/c10-9(12-8-1-2-8)7-3-5-11-6-4-7/h7-8H,1-6H2
InChIKeyGZIPNQSRJWXNLJ-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl oxane-4-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 cyclopropyl oxane-4-carboxylate?
The IUPAC name of cyclopropyl oxane-4-carboxylate (CID 23131614) is cyclopropyl oxane-4-carboxylate.
What is the SMILES notation for cyclopropyl oxane-4-carboxylate?
The canonical SMILES for cyclopropyl oxane-4-carboxylate is O=C(OC1CC1)C1CCOCC1.
What is the InChIKey of cyclopropyl oxane-4-carboxylate?
The InChIKey is GZIPNQSRJWXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-9(12-8-1-2-8)7-3-5-11-6-4-7/h7-8H,1-6H2.
What are the key properties of cyclopropyl oxane-4-carboxylate?
cyclopropyl oxane-4-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl oxane-4-carboxylate is sourced from PubChem (CID 23131614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).