diethoxy-icosyl-undecylsilane

C35H74O2Si — CID 139614143

IUPACdiethoxy-icosyl-undecylsilane
SMILESCCCCCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C35H74O2Si/c1-5-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-38(36-7-3,37-8-4)34-32-30-28-26-16-14-12-10-6-2/h5-35H2,1-4H3
InChIKeyLEYXHPFONVQWGZ-UHFFFAOYSA-N
MW555.06 g/mol
LogP13.07
Rot. Bonds33

About diethoxy-icosyl-undecylsilane

diethoxy-icosyl-undecylsilane (PubChem CID 139614143) has the molecular formula C35H74O2Si and a molecular weight of 555.06 g/mol. Its IUPAC name is diethoxy-icosyl-undecylsilane.

Molecular Properties

Compound Namediethoxy-icosyl-undecylsilane
PubChem CID139614143
Molecular FormulaC35H74O2Si
Molecular Weight555.06 g/mol
Exact Mass554.55
IUPAC Namediethoxy-icosyl-undecylsilane
SMILESCCCCCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C35H74O2Si/c1-5-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-38(36-7-3,37-8-4)34-32-30-28-26-16-14-12-10-6-2/h5-35H2,1-4H3
InChIKeyLEYXHPFONVQWGZ-UHFFFAOYSA-N
XLogP13.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.06
LogP ≤ 513.07
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

diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-hexadecyl-tridecylsilane
CID 139614117
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-icosyl-undecylsilane?
The IUPAC name of diethoxy-icosyl-undecylsilane (CID 139614143) is diethoxy-icosyl-undecylsilane.
What is the SMILES notation for diethoxy-icosyl-undecylsilane?
The canonical SMILES for diethoxy-icosyl-undecylsilane is CCCCCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCC)(OCC)OCC.
What is the InChIKey of diethoxy-icosyl-undecylsilane?
The InChIKey is LEYXHPFONVQWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74O2Si/c1-5-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-38(36-7-3,37-8-4)34-32-30-28-26-16-14-12-10-6-2/h5-35H2,1-4H3.
What are the key properties of diethoxy-icosyl-undecylsilane?
diethoxy-icosyl-undecylsilane has a molecular weight of 555.06 g/mol, XLogP of 13.07, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-icosyl-undecylsilane is sourced from PubChem (CID 139614143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).