(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol

C8H14O2 — CID 22848915

IUPAC(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol
SMILESC=C[C@@H]1OC[C@H](C)C[C@H]1O
InChIInChI=1S/C8H14O2/c1-3-8-7(9)4-6(2)5-10-8/h3,6-9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeyVUAHDHVIIKFFSX-PRJMDXOYSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds1

About (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol

(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol (PubChem CID 22848915) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol
PubChem CID22848915
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol
SMILESC=C[C@@H]1OC[C@H](C)C[C@H]1O
InChIInChI=1S/C8H14O2/c1-3-8-7(9)4-6(2)5-10-8/h3,6-9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeyVUAHDHVIIKFFSX-PRJMDXOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol?
The IUPAC name of (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol (CID 22848915) is (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol?
The canonical SMILES for (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol is C=C[C@@H]1OC[C@H](C)C[C@H]1O.
What is the InChIKey of (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol?
The InChIKey is VUAHDHVIIKFFSX-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-8-7(9)4-6(2)5-10-8/h3,6-9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1.
What are the key properties of (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol?
(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol is sourced from PubChem (CID 22848915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).