dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane

C21H44O2Si — CID 91743239

IUPACdimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C21H44O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-24(4,5)23-20-18-21(2)3/h18H,6-17,19-20H2,1-5H3
InChIKeyCIOOQSDHVMLNPS-UHFFFAOYSA-N
MW356.67 g/mol
LogP7.39
Rot. Bonds17

About dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane

dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane (PubChem CID 91743239) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane.

Molecular Properties

Compound Namedimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane
PubChem CID91743239
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Namedimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C21H44O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-24(4,5)23-20-18-21(2)3/h18H,6-17,19-20H2,1-5H3
InChIKeyCIOOQSDHVMLNPS-UHFFFAOYSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

1-Dimethyldodecylsilyloxy-3-methylbut-2-ene
CID 531344
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)heptyloxy-
CID 91697247
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
Silane, dimethyl(but-2-enyloxy)heptyloxy-
CID 91697267
Silane, dimethyl(but-2-enyloxy)octyloxy-
CID 91697268
Silane, dimethyl(but-2-enyloxy)nonyloxy-
CID 91697272
Silane, dimethyl(but-2-enyloxy)dodecyloxy-
CID 91697273
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
Silane, dimethyl(but-2-enyloxy)pentadecyloxy-
CID 91718986
Silane, dimethyl(3-methylbut-2-enyloxy)hexyloxy-
CID 91736521

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane?
The IUPAC name of dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane (CID 91743239) is dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane.
What is the SMILES notation for dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane?
The canonical SMILES for dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C.
What is the InChIKey of dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane?
The InChIKey is CIOOQSDHVMLNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-24(4,5)23-20-18-21(2)3/h18H,6-17,19-20H2,1-5H3.
What are the key properties of dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane?
dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane has a molecular weight of 356.67 g/mol, XLogP of 7.39, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-methylbut-2-enoxy)-tetradecoxysilane is sourced from PubChem (CID 91743239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).