trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate

C15H40O13Si4 — CID 102410191

IUPACtrimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate
SMILESCCC(C)(CC)O[Si](O[Si](OC)(OC)OC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC
InChIInChI=1S/C15H40O13Si4/c1-13-15(3,14-2)25-32(26-29(16-4,17-5)18-6,27-30(19-7,20-8)21-9)28-31(22-10,23-11)24-12/h13-14H2,1-12H3
InChIKeyMSPXVIWNGHFUPF-UHFFFAOYSA-N
MW540.82 g/mol
LogP1.19
Rot. Bonds19

About trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate

trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate (PubChem CID 102410191) has the molecular formula C15H40O13Si4 and a molecular weight of 540.82 g/mol. Its IUPAC name is trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate.

Molecular Properties

Compound Nametrimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate
PubChem CID102410191
Molecular FormulaC15H40O13Si4
Molecular Weight540.82 g/mol
Exact Mass540.15
IUPAC Nametrimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate
SMILESCCC(C)(CC)O[Si](O[Si](OC)(OC)OC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC
InChIInChI=1S/C15H40O13Si4/c1-13-15(3,14-2)25-32(26-29(16-4,17-5)18-6,27-30(19-7,20-8)21-9)28-31(22-10,23-11)24-12/h13-14H2,1-12H3
InChIKeyMSPXVIWNGHFUPF-UHFFFAOYSA-N
XLogP1.19
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.82
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] 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 trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate?
The IUPAC name of trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate (CID 102410191) is trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate.
What is the SMILES notation for trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate?
The canonical SMILES for trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate is CCC(C)(CC)O[Si](O[Si](OC)(OC)OC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC.
What is the InChIKey of trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate?
The InChIKey is MSPXVIWNGHFUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H40O13Si4/c1-13-15(3,14-2)25-32(26-29(16-4,17-5)18-6,27-30(19-7,20-8)21-9)28-31(22-10,23-11)24-12/h13-14H2,1-12H3.
What are the key properties of trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate?
trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate has a molecular weight of 540.82 g/mol, XLogP of 1.19, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl [3-methylpentan-3-yloxy-bis(trimethoxysilyloxy)silyl] silicate is sourced from PubChem (CID 102410191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).