tert-butyl-dimethyl-(13-methylpentadecoxy)silane

C22H48OSi — CID 6430276

IUPACtert-butyl-dimethyl-(13-methylpentadecoxy)silane
SMILESCCC(C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48OSi/c1-8-21(2)19-17-15-13-11-9-10-12-14-16-18-20-23-24(6,7)22(3,4)5/h21H,8-20H2,1-7H3
InChIKeyKZWWRKNBAQMJBU-UHFFFAOYSA-N
MW356.71 g/mol
LogP8.35
Rot. Bonds15

About tert-butyl-dimethyl-(13-methylpentadecoxy)silane

tert-butyl-dimethyl-(13-methylpentadecoxy)silane (PubChem CID 6430276) has the molecular formula C22H48OSi and a molecular weight of 356.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-(13-methylpentadecoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(13-methylpentadecoxy)silane
PubChem CID6430276
Molecular FormulaC22H48OSi
Molecular Weight356.71 g/mol
Exact Mass356.35
IUPAC Nametert-butyl-dimethyl-(13-methylpentadecoxy)silane
SMILESCCC(C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48OSi/c1-8-21(2)19-17-15-13-11-9-10-12-14-16-18-20-23-24(6,7)22(3,4)5/h21H,8-20H2,1-7H3
InChIKeyKZWWRKNBAQMJBU-UHFFFAOYSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.71
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-(13-methylpentadecoxy)silane 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 tert-butyl-dimethyl-(13-methylpentadecoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(13-methylpentadecoxy)silane (CID 6430276) is tert-butyl-dimethyl-(13-methylpentadecoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(13-methylpentadecoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(13-methylpentadecoxy)silane is CCC(C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(13-methylpentadecoxy)silane?
The InChIKey is KZWWRKNBAQMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48OSi/c1-8-21(2)19-17-15-13-11-9-10-12-14-16-18-20-23-24(6,7)22(3,4)5/h21H,8-20H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(13-methylpentadecoxy)silane?
tert-butyl-dimethyl-(13-methylpentadecoxy)silane has a molecular weight of 356.71 g/mol, XLogP of 8.35, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(13-methylpentadecoxy)silane is sourced from PubChem (CID 6430276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).