tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane

C19H40OSi — CID 5366933

IUPACtert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane
SMILESCCCCCCCC/C(C)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40OSi/c1-8-9-10-11-12-13-15-18(2)16-14-17-20-21(6,7)19(3,4)5/h16H,8-15,17H2,1-7H3/b18-16-
InChIKeyYJNORWADDOMEIB-VLGSPTGOSA-N
MW312.61 g/mol
LogP7.10
Rot. Bonds11

About tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane

tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane (PubChem CID 5366933) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane
PubChem CID5366933
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Nametert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane
SMILESCCCCCCCC/C(C)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40OSi/c1-8-9-10-11-12-13-15-18(2)16-14-17-20-21(6,7)19(3,4)5/h16H,8-15,17H2,1-7H3/b18-16-
InChIKeyYJNORWADDOMEIB-VLGSPTGOSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 57.10
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]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-[(Z)-4-methyldodec-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane (CID 5366933) is tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane is CCCCCCCC/C(C)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane?
The InChIKey is YJNORWADDOMEIB-VLGSPTGOSA-N. The full InChI is InChI=1S/C19H40OSi/c1-8-9-10-11-12-13-15-18(2)16-14-17-20-21(6,7)19(3,4)5/h16H,8-15,17H2,1-7H3/b18-16-.
What are the key properties of tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane?
tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane has a molecular weight of 312.61 g/mol, XLogP of 7.10, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-4-methyldodec-3-enoxy]silane is sourced from PubChem (CID 5366933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).