dodecyl-dimethyl-(3-methylbut-2-enoxy)silane

C19H40OSi — CID 531344

IUPACdodecyl-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCCCCCC[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C19H40OSi/c1-6-7-8-9-10-11-12-13-14-15-18-21(4,5)20-17-16-19(2)3/h16H,6-15,17-18H2,1-5H3
InChIKeyNYQKIGWJVCPCNL-UHFFFAOYSA-N
MW312.61 g/mol
LogP7.10
Rot. Bonds14

About dodecyl-dimethyl-(3-methylbut-2-enoxy)silane

dodecyl-dimethyl-(3-methylbut-2-enoxy)silane (PubChem CID 531344) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is dodecyl-dimethyl-(3-methylbut-2-enoxy)silane.

Molecular Properties

Compound Namedodecyl-dimethyl-(3-methylbut-2-enoxy)silane
PubChem CID531344
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Namedodecyl-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCCCCCC[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C19H40OSi/c1-6-7-8-9-10-11-12-13-14-15-18-21(4,5)20-17-16-19(2)3/h16H,6-15,17-18H2,1-5H3
InChIKeyNYQKIGWJVCPCNL-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
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'}

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Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(3-methylbut-2-enoxy)silane?
The IUPAC name of dodecyl-dimethyl-(3-methylbut-2-enoxy)silane (CID 531344) is dodecyl-dimethyl-(3-methylbut-2-enoxy)silane.
What is the SMILES notation for dodecyl-dimethyl-(3-methylbut-2-enoxy)silane?
The canonical SMILES for dodecyl-dimethyl-(3-methylbut-2-enoxy)silane is CCCCCCCCCCCC[Si](C)(C)OCC=C(C)C.
What is the InChIKey of dodecyl-dimethyl-(3-methylbut-2-enoxy)silane?
The InChIKey is NYQKIGWJVCPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40OSi/c1-6-7-8-9-10-11-12-13-14-15-18-21(4,5)20-17-16-19(2)3/h16H,6-15,17-18H2,1-5H3.
What are the key properties of dodecyl-dimethyl-(3-methylbut-2-enoxy)silane?
dodecyl-dimethyl-(3-methylbut-2-enoxy)silane has a molecular weight of 312.61 g/mol, XLogP of 7.10, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(3-methylbut-2-enoxy)silane is sourced from PubChem (CID 531344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).