(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol

C9H18O2Si — CID 11401211

IUPAC(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-5-6-7(10)8-9(11-8)12(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-/m1/s1
InChIKeyQFZPFIRYYKFDRH-IWSPIJDZSA-N
MW186.33 g/mol
LogP1.57
Rot. Bonds4

About (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol

(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol (PubChem CID 11401211) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
PubChem CID11401211
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-5-6-7(10)8-9(11-8)12(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-/m1/s1
InChIKeyQFZPFIRYYKFDRH-IWSPIJDZSA-N
XLogP1.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-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 (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
The IUPAC name of (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol (CID 11401211) is (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
The canonical SMILES for (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol is C=CC[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C.
What is the InChIKey of (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
The InChIKey is QFZPFIRYYKFDRH-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-5-6-7(10)8-9(11-8)12(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol?
(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol has a molecular weight of 186.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol is sourced from PubChem (CID 11401211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).