but-3-enyl (2R)-oxolane-2-carboxylate

C9H14O3 — CID 101466422

IUPACbut-3-enyl (2R)-oxolane-2-carboxylate
SMILESC=CCCOC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H14O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h2,8H,1,3-7H2/t8-/m1/s1
InChIKeyXQGZOJMDRQCZEC-MRVPVSSYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds4

About but-3-enyl (2R)-oxolane-2-carboxylate

but-3-enyl (2R)-oxolane-2-carboxylate (PubChem CID 101466422) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is but-3-enyl (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Namebut-3-enyl (2R)-oxolane-2-carboxylate
PubChem CID101466422
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namebut-3-enyl (2R)-oxolane-2-carboxylate
SMILESC=CCCOC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H14O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h2,8H,1,3-7H2/t8-/m1/s1
InChIKeyXQGZOJMDRQCZEC-MRVPVSSYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-3-enyl (2R)-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

Related Compounds

prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
prop-2-enyl oxetane-2-carboxylate
CID 174618210
1-[(2S)-oxolan-2-yl]pent-4-en-1-one
CID 129365967
(2R)-N-but-3-enyloxolane-2-carboxamide
CID 104861411
2-(propylamino)ethyl oxolane-2-carboxylate
CID 82532815
3-(propylamino)propyl oxolane-2-carboxylate
CID 82532736
2-phenylethyl oxane-2-carboxylate
CID 151584016
3-(1,3-dioxoisoindol-2-yl)propyl oxolane-2-carboxylate
CID 110495047
[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol
CID 10773900
6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate
CID 166190465
6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
CID 166185241
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498

Frequently Asked Questions

What is the IUPAC name of but-3-enyl (2R)-oxolane-2-carboxylate?
The IUPAC name of but-3-enyl (2R)-oxolane-2-carboxylate (CID 101466422) is but-3-enyl (2R)-oxolane-2-carboxylate.
What is the SMILES notation for but-3-enyl (2R)-oxolane-2-carboxylate?
The canonical SMILES for but-3-enyl (2R)-oxolane-2-carboxylate is C=CCCOC(=O)[C@H]1CCCO1.
What is the InChIKey of but-3-enyl (2R)-oxolane-2-carboxylate?
The InChIKey is XQGZOJMDRQCZEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h2,8H,1,3-7H2/t8-/m1/s1.
What are the key properties of but-3-enyl (2R)-oxolane-2-carboxylate?
but-3-enyl (2R)-oxolane-2-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 101466422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).