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

C25H52O2Si — CID 91693701

IUPACethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C25H52O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-26-28(7,9-2)27-23-24(3)22-25(4,5)6/h9,24H,2,8,10-23H2,1,3-7H3
InChIKeyVIMVCGTUPVBIRJ-UHFFFAOYSA-N
MW412.78 g/mol
LogP8.59
Rot. Bonds19

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

ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane (PubChem CID 91693701) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane.

Molecular Properties

Compound Nameethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane
PubChem CID91693701
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Nameethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C25H52O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-26-28(7,9-2)27-23-24(3)22-25(4,5)6/h9,24H,2,8,10-23H2,1,3-7H3
InChIKeyVIMVCGTUPVBIRJ-UHFFFAOYSA-N
XLogP8.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.59
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

decoxy-ethenyl-methyl-(2,4,4-trimethylpentoxy)silane
CID 91739041
ethenyl-heptadecoxy-methyl-(2-methylpropoxy)silane
CID 91744408
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
butoxy-dodecoxy-ethenyl-methylsilane
CID 91742140
ethenyl-methyl-dipentoxysilane
CID 71381989
ethenyl-ethoxy-hexoxy-methylsilane
CID 91733084
ethenyl-(2-ethylhexoxy)-methyl-octoxysilane
CID 91742123

Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane?
The IUPAC name of ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane (CID 91693701) is ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane.
What is the SMILES notation for ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane?
The canonical SMILES for ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane is C=C[Si](C)(OCCCCCCCCCCCCCC)OCC(C)CC(C)(C)C.
What is the InChIKey of ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane?
The InChIKey is VIMVCGTUPVBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-26-28(7,9-2)27-23-24(3)22-25(4,5)6/h9,24H,2,8,10-23H2,1,3-7H3.
What are the key properties of ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane?
ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane has a molecular weight of 412.78 g/mol, XLogP of 8.59, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-tetradecoxy-(2,4,4-trimethylpentoxy)silane is sourced from PubChem (CID 91693701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).