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

C27H56O2Si — CID 91693712

IUPACethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCCCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C27H56O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(7,9-2)29-25-26(3)24-27(4,5)6/h9,26H,2,8,10-25H2,1,3-7H3
InChIKeyACCILAMEDUNXDY-UHFFFAOYSA-N
MW440.83 g/mol
LogP9.37
Rot. Bonds21

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

ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane (PubChem CID 91693712) has the molecular formula C27H56O2Si and a molecular weight of 440.83 g/mol. Its IUPAC name is ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane.

Molecular Properties

Compound Nameethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane
PubChem CID91693712
Molecular FormulaC27H56O2Si
Molecular Weight440.83 g/mol
Exact Mass440.40
IUPAC Nameethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCCCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C27H56O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(7,9-2)29-25-26(3)24-27(4,5)6/h9,26H,2,8,10-25H2,1,3-7H3
InChIKeyACCILAMEDUNXDY-UHFFFAOYSA-N
XLogP9.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 59.37
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'}

Analyze ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, methylvinyl(octyloxy)octyloxy-
CID 23105081
Silane, methylvinyldi(2-ethylhexyloxy)-
CID 23213487
Silane, methylvinyl(dodecyloxy)dodecyloxy-
CID 87770809
Silane, methylvinyl(2,4,4-trimethylpentyloxy)tetradecyloxy-
CID 91693701
Silane, methylvinyl(2,4,4-trimethylpentyloxy)pentadecyloxy-
CID 91693706
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)isobutoxy-
CID 91726236
Silane, methylvinyl(2,4,4-trimethylpentyloxy)butoxy-
CID 91726237
Silane, methylvinyl(2,4,4-trimethylpentyloxy)(methylvinyl(2,4,4-trimethylpentyloxy)silyloxy)-
CID 91726539
Silane, methylvinyl(isobutoxy)(methylvinylundecyloxysilyloxy)-
CID 91726659

Frequently Asked Questions

What is the IUPAC name of ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The IUPAC name of ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane (CID 91693712) is ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane.
What is the SMILES notation for ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The canonical SMILES for ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane is C=C[Si](C)(OCCCCCCCCCCCCCCCC)OCC(C)CC(C)(C)C.
What is the InChIKey of ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The InChIKey is ACCILAMEDUNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(7,9-2)29-25-26(3)24-27(4,5)6/h9,26H,2,8,10-25H2,1,3-7H3.
What are the key properties of ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane?
ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane has a molecular weight of 440.83 g/mol, XLogP of 9.37, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-hexadecoxy-methyl-(2,4,4-trimethylpentoxy)silane is sourced from PubChem (CID 91693712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).