(2S,3R)-2-ethenyloxan-3-ol

C7H12O2 — CID 11159338

IUPAC(2S,3R)-2-ethenyloxan-3-ol
SMILESC=C[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C7H12O2/c1-2-7-6(8)4-3-5-9-7/h2,6-8H,1,3-5H2/t6-,7+/m1/s1
InChIKeyCDQZNJSWJFGJRQ-RQJHMYQMSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds1

About (2S,3R)-2-ethenyloxan-3-ol

(2S,3R)-2-ethenyloxan-3-ol (PubChem CID 11159338) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2S,3R)-2-ethenyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-ethenyloxan-3-ol
PubChem CID11159338
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2S,3R)-2-ethenyloxan-3-ol
SMILESC=C[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C7H12O2/c1-2-7-6(8)4-3-5-9-7/h2,6-8H,1,3-5H2/t6-,7+/m1/s1
InChIKeyCDQZNJSWJFGJRQ-RQJHMYQMSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (E)-
CID 6445069
Ichthyothereol
CID 6451387
(2R,3S)-2-[(E)-3-hydroxyprop-1-enyl]oxan-3-ol
CID 44397596
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151
(2R,3S)-2-ethenyloxan-3-ol
CID 11062403
2-Ethenyloxan-3-ol
CID 14142047
1-(Oxan-2-yl)prop-2-en-1-ol
CID 121601338
Cunaniol
CID 5282248
(6-Vinyl-tetrahydro-pyran-2-yl)-methanol
CID 14142036
(2S,3S)-2-ethenyloxan-3-ol
CID 14142046
1-Ethenyltetrahydropyran-4-ol
CID 21682494
(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol
CID 56593728

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethenyloxan-3-ol?
The IUPAC name of (2S,3R)-2-ethenyloxan-3-ol (CID 11159338) is (2S,3R)-2-ethenyloxan-3-ol.
What is the SMILES notation for (2S,3R)-2-ethenyloxan-3-ol?
The canonical SMILES for (2S,3R)-2-ethenyloxan-3-ol is C=C[C@@H]1OCCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-ethenyloxan-3-ol?
The InChIKey is CDQZNJSWJFGJRQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-7-6(8)4-3-5-9-7/h2,6-8H,1,3-5H2/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-ethenyloxan-3-ol?
(2S,3R)-2-ethenyloxan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethenyloxan-3-ol is sourced from PubChem (CID 11159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).