[(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate

C10H26O5Si2 — CID 140886780

IUPAC[(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate
SMILESCO[Si](OC)(OC)O[Si](C)(C)CCC(C)(C)O
InChIInChI=1S/C10H26O5Si2/c1-10(2,11)8-9-16(6,7)15-17(12-3,13-4)14-5/h11H,8-9H2,1-7H3
InChIKeyCTPQTEWURZOOLT-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.74
Rot. Bonds8

About [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate

[(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate (PubChem CID 140886780) has the molecular formula C10H26O5Si2 and a molecular weight of 282.48 g/mol. Its IUPAC name is [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate.

Molecular Properties

Compound Name[(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate
PubChem CID140886780
Molecular FormulaC10H26O5Si2
Molecular Weight282.48 g/mol
Exact Mass282.13
IUPAC Name[(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate
SMILESCO[Si](OC)(OC)O[Si](C)(C)CCC(C)(C)O
InChIInChI=1S/C10H26O5Si2/c1-10(2,11)8-9-16(6,7)15-17(12-3,13-4)14-5/h11H,8-9H2,1-7H3
InChIKeyCTPQTEWURZOOLT-UHFFFAOYSA-N
XLogP1.74
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate 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 [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate?
The IUPAC name of [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate (CID 140886780) is [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate.
What is the SMILES notation for [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate?
The canonical SMILES for [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate is CO[Si](OC)(OC)O[Si](C)(C)CCC(C)(C)O.
What is the InChIKey of [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate?
The InChIKey is CTPQTEWURZOOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26O5Si2/c1-10(2,11)8-9-16(6,7)15-17(12-3,13-4)14-5/h11H,8-9H2,1-7H3.
What are the key properties of [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate?
[(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate has a molecular weight of 282.48 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-hydroxy-3-methylbutyl)-dimethylsilyl] trimethyl silicate is sourced from PubChem (CID 140886780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).