(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol

C11H20O4 — CID 11053075

IUPAC(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol
SMILESC/C=C/[C@H]1O[C@@H]([C@@H](O)CO)C[C@H](O)[C@H]1C
InChIInChI=1S/C11H20O4/c1-3-4-10-7(2)8(13)5-11(15-10)9(14)6-12/h3-4,7-14H,5-6H2,1-2H3/b4-3+/t7-,8+,9+,10-,11-/m1/s1
InChIKeyBQOIQUQEDHFNFY-QPXONINNSA-N
MW216.28 g/mol
LogP0.07
Rot. Bonds3

About (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol

(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol (PubChem CID 11053075) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol
PubChem CID11053075
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol
SMILESC/C=C/[C@H]1O[C@@H]([C@@H](O)CO)C[C@H](O)[C@H]1C
InChIInChI=1S/C11H20O4/c1-3-4-10-7(2)8(13)5-11(15-10)9(14)6-12/h3-4,7-14H,5-6H2,1-2H3/b4-3+/t7-,8+,9+,10-,11-/m1/s1
InChIKeyBQOIQUQEDHFNFY-QPXONINNSA-N
XLogP0.07
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol (CID 11053075) is (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol is C/C=C/[C@H]1O[C@@H]([C@@H](O)CO)C[C@H](O)[C@H]1C.
What is the InChIKey of (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol?
The InChIKey is BQOIQUQEDHFNFY-QPXONINNSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-10-7(2)8(13)5-11(15-10)9(14)6-12/h3-4,7-14H,5-6H2,1-2H3/b4-3+/t7-,8+,9+,10-,11-/m1/s1.
What are the key properties of (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol?
(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol has a molecular weight of 216.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11053075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).