diethoxy-hexadecyl-tridecylsilane

C33H70O2Si — CID 139614117

IUPACdiethoxy-hexadecyl-tridecylsilane
SMILESCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C33H70O2Si/c1-5-9-11-13-15-17-19-20-21-23-25-27-29-31-33-36(34-7-3,35-8-4)32-30-28-26-24-22-18-16-14-12-10-6-2/h5-33H2,1-4H3
InChIKeyJMUKDDGAXHPRPL-UHFFFAOYSA-N
MW527.01 g/mol
LogP12.29
Rot. Bonds31

About diethoxy-hexadecyl-tridecylsilane

diethoxy-hexadecyl-tridecylsilane (PubChem CID 139614117) has the molecular formula C33H70O2Si and a molecular weight of 527.01 g/mol. Its IUPAC name is diethoxy-hexadecyl-tridecylsilane.

Molecular Properties

Compound Namediethoxy-hexadecyl-tridecylsilane
PubChem CID139614117
Molecular FormulaC33H70O2Si
Molecular Weight527.01 g/mol
Exact Mass526.51
IUPAC Namediethoxy-hexadecyl-tridecylsilane
SMILESCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C33H70O2Si/c1-5-9-11-13-15-17-19-20-21-23-25-27-29-31-33-36(34-7-3,35-8-4)32-30-28-26-24-22-18-16-14-12-10-6-2/h5-33H2,1-4H3
InChIKeyJMUKDDGAXHPRPL-UHFFFAOYSA-N
XLogP12.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.01
LogP ≤ 512.29
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 diethoxy-hexadecyl-tridecylsilane 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

diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-icosyl-undecylsilane
CID 139614143
decyl-diethoxy-tridecylsilane
CID 139614334
butyl-diethoxy-tetradecylsilane
CID 139614088
diethoxy-nonyl-propylsilane
CID 139614051
butoxy-ethoxy-dioctylsilane
CID 89350080
diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-ethyl-hexacosylsilane
CID 153322873
ethoxy-methoxy-propyl-tetradecylsilane
CID 141078244
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of diethoxy-hexadecyl-tridecylsilane?
The IUPAC name of diethoxy-hexadecyl-tridecylsilane (CID 139614117) is diethoxy-hexadecyl-tridecylsilane.
What is the SMILES notation for diethoxy-hexadecyl-tridecylsilane?
The canonical SMILES for diethoxy-hexadecyl-tridecylsilane is CCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCC)(OCC)OCC.
What is the InChIKey of diethoxy-hexadecyl-tridecylsilane?
The InChIKey is JMUKDDGAXHPRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70O2Si/c1-5-9-11-13-15-17-19-20-21-23-25-27-29-31-33-36(34-7-3,35-8-4)32-30-28-26-24-22-18-16-14-12-10-6-2/h5-33H2,1-4H3.
What are the key properties of diethoxy-hexadecyl-tridecylsilane?
diethoxy-hexadecyl-tridecylsilane has a molecular weight of 527.01 g/mol, XLogP of 12.29, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hexadecyl-tridecylsilane is sourced from PubChem (CID 139614117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).