(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol

C8H14O3 — CID 56593728

IUPAC(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol
SMILESC=C[C@H]1CC[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14O3/c1-2-6-3-4-7(10)8(5-9)11-6/h2,6-10H,1,3-5H2/t6-,7-,8+/m0/s1
InChIKeyOLVUEMOTWOQWOU-BIIVOSGPSA-N
MW158.20 g/mol
LogP0.07
Rot. Bonds2

About (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol

(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol (PubChem CID 56593728) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol
PubChem CID56593728
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol
SMILESC=C[C@H]1CC[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14O3/c1-2-6-3-4-7(10)8(5-9)11-6/h2,6-10H,1,3-5H2/t6-,7-,8+/m0/s1
InChIKeyOLVUEMOTWOQWOU-BIIVOSGPSA-N
XLogP0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol (CID 56593728) is (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol is C=C[C@H]1CC[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is OLVUEMOTWOQWOU-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-6-3-4-7(10)8(5-9)11-6/h2,6-10H,1,3-5H2/t6-,7-,8+/m0/s1.
What are the key properties of (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol?
(2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-ethenyl-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 56593728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).