(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol

C13H30O2Si — CID 11118360

IUPAC(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
SMILESCC(C)[Si](O[C@@H](C)[C@H](C)O)(C(C)C)C(C)C
InChIInChI=1S/C13H30O2Si/c1-9(2)16(10(3)4,11(5)6)15-13(8)12(7)14/h9-14H,1-8H3/t12-,13-/m0/s1
InChIKeyZKYSOMDVIJFCGX-STQMWFEESA-N
MW246.47 g/mol
LogP3.95
Rot. Bonds6

About (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol

(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol (PubChem CID 11118360) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
PubChem CID11118360
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
SMILESCC(C)[Si](O[C@@H](C)[C@H](C)O)(C(C)C)C(C)C
InChIInChI=1S/C13H30O2Si/c1-9(2)16(10(3)4,11(5)6)15-13(8)12(7)14/h9-14H,1-8H3/t12-,13-/m0/s1
InChIKeyZKYSOMDVIJFCGX-STQMWFEESA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-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 (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol?
The IUPAC name of (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol (CID 11118360) is (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol.
What is the SMILES notation for (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol?
The canonical SMILES for (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol is CC(C)[Si](O[C@@H](C)[C@H](C)O)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol?
The InChIKey is ZKYSOMDVIJFCGX-STQMWFEESA-N. The full InChI is InChI=1S/C13H30O2Si/c1-9(2)16(10(3)4,11(5)6)15-13(8)12(7)14/h9-14H,1-8H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol?
(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol has a molecular weight of 246.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol is sourced from PubChem (CID 11118360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).