(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol

C11H20O4 — CID 58153213

IUPAC(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
SMILESC=CCO[C@@H]1OC(CO)[C@H](O)[C@H](C)C1C
InChIInChI=1S/C11H20O4/c1-4-5-14-11-8(3)7(2)10(13)9(6-12)15-11/h4,7-13H,1,5-6H2,2-3H3/t7-,8?,9?,10-,11-/m1/s1
InChIKeySWLQLYYLQYAAPN-LRPJUKONSA-N
MW216.28 g/mol
LogP0.54
Rot. Bonds4

About (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol

(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol (PubChem CID 58153213) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
PubChem CID58153213
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
SMILESC=CCO[C@@H]1OC(CO)[C@H](O)[C@H](C)C1C
InChIInChI=1S/C11H20O4/c1-4-5-14-11-8(3)7(2)10(13)9(6-12)15-11/h4,7-13H,1,5-6H2,2-3H3/t7-,8?,9?,10-,11-/m1/s1
InChIKeySWLQLYYLQYAAPN-LRPJUKONSA-N
XLogP0.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol?
The IUPAC name of (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol (CID 58153213) is (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol.
What is the SMILES notation for (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol?
The canonical SMILES for (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol is C=CCO[C@@H]1OC(CO)[C@H](O)[C@H](C)C1C.
What is the InChIKey of (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol?
The InChIKey is SWLQLYYLQYAAPN-LRPJUKONSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-5-14-11-8(3)7(2)10(13)9(6-12)15-11/h4,7-13H,1,5-6H2,2-3H3/t7-,8?,9?,10-,11-/m1/s1.
What are the key properties of (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol?
(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol has a molecular weight of 216.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol is sourced from PubChem (CID 58153213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).