(2S,3R)-2-but-3-enyl-3-ethenoxyoxane

C11H18O2 — CID 102446458

IUPAC(2S,3R)-2-but-3-enyl-3-ethenoxyoxane
SMILESC=CCC[C@@H]1OCCC[C@H]1OC=C
InChIInChI=1S/C11H18O2/c1-3-5-7-11-10(12-4-2)8-6-9-13-11/h3-4,10-11H,1-2,5-9H2/t10-,11+/m1/s1
InChIKeyOYYQSRKXACVHCT-MNOVXSKESA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds5

About (2S,3R)-2-but-3-enyl-3-ethenoxyoxane

(2S,3R)-2-but-3-enyl-3-ethenoxyoxane (PubChem CID 102446458) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S,3R)-2-but-3-enyl-3-ethenoxyoxane.

Molecular Properties

Compound Name(2S,3R)-2-but-3-enyl-3-ethenoxyoxane
PubChem CID102446458
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S,3R)-2-but-3-enyl-3-ethenoxyoxane
SMILESC=CCC[C@@H]1OCCC[C@H]1OC=C
InChIInChI=1S/C11H18O2/c1-3-5-7-11-10(12-4-2)8-6-9-13-11/h3-4,10-11H,1-2,5-9H2/t10-,11+/m1/s1
InChIKeyOYYQSRKXACVHCT-MNOVXSKESA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,4,4a,8,8a-Hexahydro-pyrano[3,2-b]pyran
CID 558760
(4aR,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 53235925
(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
(2R,3R,4aR,8aR)-3-but-3-enoxy-2-prop-2-enyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 135017677
(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
CID 10634717
(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
CID 10680678
(2R,3S)-2-pent-4-enyloxan-3-ol
CID 10702296
[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol
CID 10848699
(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane
CID 10954489
2-But-3-enyloxane
CID 12860233
2-Hex-5-enyl-1,4,7,10-tetraoxacyclododecane
CID 14406023

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-but-3-enyl-3-ethenoxyoxane?
The IUPAC name of (2S,3R)-2-but-3-enyl-3-ethenoxyoxane (CID 102446458) is (2S,3R)-2-but-3-enyl-3-ethenoxyoxane.
What is the SMILES notation for (2S,3R)-2-but-3-enyl-3-ethenoxyoxane?
The canonical SMILES for (2S,3R)-2-but-3-enyl-3-ethenoxyoxane is C=CCC[C@@H]1OCCC[C@H]1OC=C.
What is the InChIKey of (2S,3R)-2-but-3-enyl-3-ethenoxyoxane?
The InChIKey is OYYQSRKXACVHCT-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-7-11-10(12-4-2)8-6-9-13-11/h3-4,10-11H,1-2,5-9H2/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-2-but-3-enyl-3-ethenoxyoxane?
(2S,3R)-2-but-3-enyl-3-ethenoxyoxane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 5 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-ethenoxyoxane is sourced from PubChem (CID 102446458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).