7,7-dimethyloctyl(trimethoxy)silane

C13H30O3Si — CID 140817013

IUPAC7,7-dimethyloctyl(trimethoxy)silane
SMILESCO[Si](CCCCCCC(C)(C)C)(OC)OC
InChIInChI=1S/C13H30O3Si/c1-13(2,3)11-9-7-8-10-12-17(14-4,15-5)16-6/h7-12H2,1-6H3
InChIKeyWRQRIGQYVUCDIC-UHFFFAOYSA-N
MW262.47 g/mol
LogP3.86
Rot. Bonds9

About 7,7-dimethyloctyl(trimethoxy)silane

7,7-dimethyloctyl(trimethoxy)silane (PubChem CID 140817013) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is 7,7-dimethyloctyl(trimethoxy)silane.

Molecular Properties

Compound Name7,7-dimethyloctyl(trimethoxy)silane
PubChem CID140817013
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name7,7-dimethyloctyl(trimethoxy)silane
SMILESCO[Si](CCCCCCC(C)(C)C)(OC)OC
InChIInChI=1S/C13H30O3Si/c1-13(2,3)11-9-7-8-10-12-17(14-4,15-5)16-6/h7-12H2,1-6H3
InChIKeyWRQRIGQYVUCDIC-UHFFFAOYSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7,7-dimethyloctyl(trimethoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
CID 160729242
CID 160729242
25-bromopentacosyl(trimethoxy)silane
CID 87680868

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyloctyl(trimethoxy)silane?
The IUPAC name of 7,7-dimethyloctyl(trimethoxy)silane (CID 140817013) is 7,7-dimethyloctyl(trimethoxy)silane.
What is the SMILES notation for 7,7-dimethyloctyl(trimethoxy)silane?
The canonical SMILES for 7,7-dimethyloctyl(trimethoxy)silane is CO[Si](CCCCCCC(C)(C)C)(OC)OC.
What is the InChIKey of 7,7-dimethyloctyl(trimethoxy)silane?
The InChIKey is WRQRIGQYVUCDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-13(2,3)11-9-7-8-10-12-17(14-4,15-5)16-6/h7-12H2,1-6H3.
What are the key properties of 7,7-dimethyloctyl(trimethoxy)silane?
7,7-dimethyloctyl(trimethoxy)silane has a molecular weight of 262.47 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyloctyl(trimethoxy)silane is sourced from PubChem (CID 140817013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).