(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol

C10H18O3 — CID 10702711

IUPAC(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
SMILESC/C(=C\CO)[C@H]1C[C@@H](O)C(C)(C)O1
InChIInChI=1S/C10H18O3/c1-7(4-5-11)8-6-9(12)10(2,3)13-8/h4,8-9,11-12H,5-6H2,1-3H3/b7-4+/t8-,9-/m1/s1
InChIKeyIHHQHUMLWMNJGX-AOZRHXBJSA-N
MW186.25 g/mol
LogP0.85
Rot. Bonds2

About (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol

(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol (PubChem CID 10702711) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
PubChem CID10702711
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
SMILESC/C(=C\CO)[C@H]1C[C@@H](O)C(C)(C)O1
InChIInChI=1S/C10H18O3/c1-7(4-5-11)8-6-9(12)10(2,3)13-8/h4,8-9,11-12H,5-6H2,1-3H3/b7-4+/t8-,9-/m1/s1
InChIKeyIHHQHUMLWMNJGX-AOZRHXBJSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-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,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
The IUPAC name of (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol (CID 10702711) is (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol.
What is the SMILES notation for (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
The canonical SMILES for (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol is C/C(=C\CO)[C@H]1C[C@@H](O)C(C)(C)O1.
What is the InChIKey of (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
The InChIKey is IHHQHUMLWMNJGX-AOZRHXBJSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(4-5-11)8-6-9(12)10(2,3)13-8/h4,8-9,11-12H,5-6H2,1-3H3/b7-4+/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol has a molecular weight of 186.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol is sourced from PubChem (CID 10702711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).