2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol

C11H18O2 — CID 11344385

IUPAC2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
SMILESC=C1C[C@@H](CCO)O[C@@H](/C=C/C)C1
InChIInChI=1S/C11H18O2/c1-3-4-10-7-9(2)8-11(13-10)5-6-12/h3-4,10-12H,2,5-8H2,1H3/b4-3+/t10-,11+/m0/s1
InChIKeyKMEITDJHFKZVLR-MJKAUQOVSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds3

About 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol

2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol (PubChem CID 11344385) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
PubChem CID11344385
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
SMILESC=C1C[C@@H](CCO)O[C@@H](/C=C/C)C1
InChIInChI=1S/C11H18O2/c1-3-4-10-7-9(2)8-11(13-10)5-6-12/h3-4,10-12H,2,5-8H2,1H3/b4-3+/t10-,11+/m0/s1
InChIKeyKMEITDJHFKZVLR-MJKAUQOVSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
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 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol?
The IUPAC name of 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol (CID 11344385) is 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol is C=C1C[C@@H](CCO)O[C@@H](/C=C/C)C1.
What is the InChIKey of 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol?
The InChIKey is KMEITDJHFKZVLR-MJKAUQOVSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-10-7-9(2)8-11(13-10)5-6-12/h3-4,10-12H,2,5-8H2,1H3/b4-3+/t10-,11+/m0/s1.
What are the key properties of 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol?
2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol is sourced from PubChem (CID 11344385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).