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

C19H40O2Si — CID 91742099

IUPACdodecoxy-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-17-20-22(4,5)21-18-16-19(2)3/h16H,6-15,17-18H2,1-5H3
InChIKeyJXWYHFBLWSMWNA-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.61
Rot. Bonds15

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

dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane (PubChem CID 91742099) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane.

Molecular Properties

Compound Namedodecoxy-dimethyl-(3-methylbut-2-enoxy)silane
PubChem CID91742099
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Namedodecoxy-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-17-20-22(4,5)21-18-16-19(2)3/h16H,6-15,17-18H2,1-5H3
InChIKeyJXWYHFBLWSMWNA-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.61
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 dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The IUPAC name of dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane (CID 91742099) is dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane.
What is the SMILES notation for dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The canonical SMILES for dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane is CCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C.
What is the InChIKey of dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The InChIKey is JXWYHFBLWSMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-17-20-22(4,5)21-18-16-19(2)3/h16H,6-15,17-18H2,1-5H3.
What are the key properties of dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane has a molecular weight of 328.61 g/mol, XLogP of 6.61, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-dimethyl-(3-methylbut-2-enoxy)silane is sourced from PubChem (CID 91742099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).