(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane

C12H20O2 — CID 102446889

IUPAC(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
SMILESC=CCC[C@@H]1OCCC[C@H]1OCC=C
InChIInChI=1S/C12H20O2/c1-3-5-7-11-12(13-9-4-2)8-6-10-14-11/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyYWHCSAITGSRUNZ-NWDGAFQWSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds6

About (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane

(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane (PubChem CID 102446889) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
PubChem CID102446889
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
SMILESC=CCC[C@@H]1OCCC[C@H]1OCC=C
InChIInChI=1S/C12H20O2/c1-3-5-7-11-12(13-9-4-2)8-6-10-14-11/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyYWHCSAITGSRUNZ-NWDGAFQWSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane 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 (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane?
The IUPAC name of (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane (CID 102446889) is (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane.
What is the SMILES notation for (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane?
The canonical SMILES for (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane is C=CCC[C@@H]1OCCC[C@H]1OCC=C.
What is the InChIKey of (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane?
The InChIKey is YWHCSAITGSRUNZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-7-11-12(13-9-4-2)8-6-10-14-11/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane?
(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane has a molecular weight of 196.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane is sourced from PubChem (CID 102446889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).