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

C12H20O2 — CID 10631752

IUPAC(2R,3S)-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+/m1/s1
InChIKeyYWHCSAITGSRUNZ-NEPJUHHUSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds6

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

(2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane (PubChem CID 10631752) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane
PubChem CID10631752
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2R,3S)-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+/m1/s1
InChIKeyYWHCSAITGSRUNZ-NEPJUHHUSA-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'}

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Related Compounds

4,7-Bis(prop-2-enoxy)deca-1,9-diene
CID 10586810
(2R,3R,4aR,8aR)-3-prop-2-enoxy-2-prop-2-enyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 53235927
(2R,6R)-2-ethenyl-6-pent-4-enyloxane
CID 102357880
(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
CID 102446889
(2S,3R)-2-but-3-enyl-3-(2-methylprop-2-enoxy)oxane
CID 102446890
(4aR,7Z,10aS)-2,3,4,4a,6,9,10,10a-octahydropyrano[3,2-b]oxocine
CID 102446891
(4aR,8aR)-3-prop-2-enoxy-2-prop-2-enyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 135017511
(1S,9E,11R)-2,12-dioxabicyclo[9.4.0]pentadec-9-ene
CID 10488669
(2R,3S)-3-but-3-enoxy-2-(prop-2-enoxymethyl)oxane
CID 10537245
(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane
CID 10538033
(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
CID 10680678
(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane
CID 10954489

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane?
The IUPAC name of (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane (CID 10631752) is (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane.
What is the SMILES notation for (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane?
The canonical SMILES for (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane is C=CCC[C@H]1OCCC[C@@H]1OCC=C.
What is the InChIKey of (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane?
The InChIKey is YWHCSAITGSRUNZ-NEPJUHHUSA-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+/m1/s1.
What are the key properties of (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane?
(2R,3S)-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 (2R,3S)-2-but-3-enyl-3-prop-2-enoxyoxane is sourced from PubChem (CID 10631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).