tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane

C20H42OSi — CID 101396174

IUPACtert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane
SMILESCCCCCCCC/C(C)=C\CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSi/c1-9-10-11-12-13-14-15-18(2)16-17-19(3)21-22(7,8)20(4,5)6/h16,19H,9-15,17H2,1-8H3/b18-16-
InChIKeySUCCJBXDPBPSAC-VLGSPTGOSA-N
MW326.64 g/mol
LogP7.48
Rot. Bonds11

About tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane

tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane (PubChem CID 101396174) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane
PubChem CID101396174
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Nametert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane
SMILESCCCCCCCC/C(C)=C\CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSi/c1-9-10-11-12-13-14-15-18(2)16-17-19(3)21-22(7,8)20(4,5)6/h16,19H,9-15,17H2,1-8H3/b18-16-
InChIKeySUCCJBXDPBPSAC-VLGSPTGOSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.48
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane (CID 101396174) is tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane is CCCCCCCC/C(C)=C\CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane?
The InChIKey is SUCCJBXDPBPSAC-VLGSPTGOSA-N. The full InChI is InChI=1S/C20H42OSi/c1-9-10-11-12-13-14-15-18(2)16-17-19(3)21-22(7,8)20(4,5)6/h16,19H,9-15,17H2,1-8H3/b18-16-.
What are the key properties of tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(Z)-5-methyltridec-4-en-2-yl]oxysilane has a molecular weight of 326.64 g/mol, XLogP of 7.48, 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)-5-methyltridec-4-en-2-yl]oxysilane is sourced from PubChem (CID 101396174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).