dibutyl-bis(tripropoxysilylmethylsulfanyl)silane

C28H64O6S2Si3 — CID 175914801

IUPACdibutyl-bis(tripropoxysilylmethylsulfanyl)silane
SMILESCCCC[Si](CCCC)(SC[Si](OCCC)(OCCC)OCCC)SC[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C28H64O6S2Si3/c1-9-17-25-37(26-18-10-2,35-27-38(29-19-11-3,30-20-12-4)31-21-13-5)36-28-39(32-22-14-6,33-23-15-7)34-24-16-8/h9-28H2,1-8H3
InChIKeyRKRIBJCMJWBHOX-UHFFFAOYSA-N
MW645.21 g/mol
LogP9.01
Rot. Bonds30

About dibutyl-bis(tripropoxysilylmethylsulfanyl)silane

dibutyl-bis(tripropoxysilylmethylsulfanyl)silane (PubChem CID 175914801) has the molecular formula C28H64O6S2Si3 and a molecular weight of 645.21 g/mol. Its IUPAC name is dibutyl-bis(tripropoxysilylmethylsulfanyl)silane.

Molecular Properties

Compound Namedibutyl-bis(tripropoxysilylmethylsulfanyl)silane
PubChem CID175914801
Molecular FormulaC28H64O6S2Si3
Molecular Weight645.21 g/mol
Exact Mass644.35
IUPAC Namedibutyl-bis(tripropoxysilylmethylsulfanyl)silane
SMILESCCCC[Si](CCCC)(SC[Si](OCCC)(OCCC)OCCC)SC[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C28H64O6S2Si3/c1-9-17-25-37(26-18-10-2,35-27-38(29-19-11-3,30-20-12-4)31-21-13-5)36-28-39(32-22-14-6,33-23-15-7)34-24-16-8/h9-28H2,1-8H3
InChIKeyRKRIBJCMJWBHOX-UHFFFAOYSA-N
XLogP9.01
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.21
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dibutyl-bis(tripropoxysilylmethylsulfanyl)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

butyl-methoxy-dipropoxysilane
CID 18672915
ethyl(tripropoxy)silane;tributoxy(ethyl)silane
CID 160706387
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
diethoxy-ethyl-propoxysilane
CID 22211908
ethoxy-ethyl-dipropoxysilane
CID 525754
3-tripropoxysilylpropan-1-ol
CID 19080799
4-tripropoxysilylbutan-1-amine
CID 15986561
butoxy-butyl-dimethoxysilane
CID 139714527
tributyl(3-tripropoxysilylpropyl)azanium chloride
CID 161047620
dibutyl-(iodomethyl)-propoxysilane
CID 23146625

Frequently Asked Questions

What is the IUPAC name of dibutyl-bis(tripropoxysilylmethylsulfanyl)silane?
The IUPAC name of dibutyl-bis(tripropoxysilylmethylsulfanyl)silane (CID 175914801) is dibutyl-bis(tripropoxysilylmethylsulfanyl)silane.
What is the SMILES notation for dibutyl-bis(tripropoxysilylmethylsulfanyl)silane?
The canonical SMILES for dibutyl-bis(tripropoxysilylmethylsulfanyl)silane is CCCC[Si](CCCC)(SC[Si](OCCC)(OCCC)OCCC)SC[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of dibutyl-bis(tripropoxysilylmethylsulfanyl)silane?
The InChIKey is RKRIBJCMJWBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64O6S2Si3/c1-9-17-25-37(26-18-10-2,35-27-38(29-19-11-3,30-20-12-4)31-21-13-5)36-28-39(32-22-14-6,33-23-15-7)34-24-16-8/h9-28H2,1-8H3.
What are the key properties of dibutyl-bis(tripropoxysilylmethylsulfanyl)silane?
dibutyl-bis(tripropoxysilylmethylsulfanyl)silane has a molecular weight of 645.21 g/mol, XLogP of 9.01, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-bis(tripropoxysilylmethylsulfanyl)silane is sourced from PubChem (CID 175914801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).