ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane

C18H38O2Si — CID 91734905

IUPACethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCCCCCCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-8-10-11-12-13-14-19-21(7,9-2)20-16-17(3)15-18(4,5)6/h9,17H,2,8,10-16H2,1,3-7H3
InChIKeyOTQRLBBVTCZCFN-UHFFFAOYSA-N
MW314.59 g/mol
LogP5.86
Rot. Bonds12

About ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane

ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane (PubChem CID 91734905) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane.

Molecular Properties

Compound Nameethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane
PubChem CID91734905
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nameethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCCCCCCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-8-10-11-12-13-14-19-21(7,9-2)20-16-17(3)15-18(4,5)6/h9,17H,2,8,10-16H2,1,3-7H3
InChIKeyOTQRLBBVTCZCFN-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.86
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'}

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Related Compounds

Silane, methylvinyldi(2-ethylhexyloxy)-
CID 23213487
Silane, methylvinyl(2,4,4-trimethylpentyloxy)tetradecyloxy-
CID 91693701
Silane, methylvinyl(2,4,4-trimethylpentyloxy)pentadecyloxy-
CID 91693706
Silane, methylvinyl(2,4,4-trimethylpentyloxy)hexadecyloxy-
CID 91693712
Silane, methylvinyldi(3,7-dimethyloctyloxy)-
CID 91698190
Silane, methylvinyl(3,7-dimethyloctyloxy)isobutoxy-
CID 91698410
Silane, methylvinyl(3,7-dimethyloctyloxy)butoxy-
CID 91698411
Silane, methylvinyl(2,4,4-trimethylpentyloxy)ethoxy-
CID 91708113
Silane, methylvinyl(2-ethylhexyloxy)ethoxy-
CID 91708129
Silane, methylvinyl(2,4,4-trimethylpentyloxy)propoxy-
CID 91723249
Silane, methylvinyl(2,4,4-trimethylpentyloxy)isobutoxy-
CID 91726236
Silane, methylvinyl(2,4,4-trimethylpentyloxy)butoxy-
CID 91726237

Frequently Asked Questions

What is the IUPAC name of ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The IUPAC name of ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane (CID 91734905) is ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane.
What is the SMILES notation for ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The canonical SMILES for ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane is C=C[Si](C)(OCCCCCCC)OCC(C)CC(C)(C)C.
What is the InChIKey of ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The InChIKey is OTQRLBBVTCZCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-8-10-11-12-13-14-19-21(7,9-2)20-16-17(3)15-18(4,5)6/h9,17H,2,8,10-16H2,1,3-7H3.
What are the key properties of ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane?
ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane has a molecular weight of 314.59 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-heptoxy-methyl-(2,4,4-trimethylpentoxy)silane is sourced from PubChem (CID 91734905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).