dodecyl(triethoxy)silane;tridecane

C31H68O3Si — CID 174970002

IUPACdodecyl(triethoxy)silane;tridecane
SMILESCCCCCCCCCCCCC.CCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40O3Si.C13H28/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4;1-3-5-7-9-11-13-12-10-8-6-4-2/h5-18H2,1-4H3;3-13H2,1-2H3
InChIKeyNCYVCOWYYZNOBB-UHFFFAOYSA-N
MW516.97 g/mol
LogP11.27
Rot. Bonds27

About dodecyl(triethoxy)silane;tridecane

dodecyl(triethoxy)silane;tridecane (PubChem CID 174970002) has the molecular formula C31H68O3Si and a molecular weight of 516.97 g/mol. Its IUPAC name is dodecyl(triethoxy)silane;tridecane.

Molecular Properties

Compound Namedodecyl(triethoxy)silane;tridecane
PubChem CID174970002
Molecular FormulaC31H68O3Si
Molecular Weight516.97 g/mol
Exact Mass516.49
IUPAC Namedodecyl(triethoxy)silane;tridecane
SMILESCCCCCCCCCCCCC.CCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40O3Si.C13H28/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4;1-3-5-7-9-11-13-12-10-8-6-4-2/h5-18H2,1-4H3;3-13H2,1-2H3
InChIKeyNCYVCOWYYZNOBB-UHFFFAOYSA-N
XLogP11.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.97
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925
dodecyl-diethoxy-methoxysilane
CID 141483107
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
triethoxy(8-fluorohenicosyl)silane
CID 87070985

Frequently Asked Questions

What is the IUPAC name of dodecyl(triethoxy)silane;tridecane?
The IUPAC name of dodecyl(triethoxy)silane;tridecane (CID 174970002) is dodecyl(triethoxy)silane;tridecane.
What is the SMILES notation for dodecyl(triethoxy)silane;tridecane?
The canonical SMILES for dodecyl(triethoxy)silane;tridecane is CCCCCCCCCCCCC.CCCCCCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of dodecyl(triethoxy)silane;tridecane?
The InChIKey is NCYVCOWYYZNOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si.C13H28/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4;1-3-5-7-9-11-13-12-10-8-6-4-2/h5-18H2,1-4H3;3-13H2,1-2H3.
What are the key properties of dodecyl(triethoxy)silane;tridecane?
dodecyl(triethoxy)silane;tridecane has a molecular weight of 516.97 g/mol, XLogP of 11.27, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(triethoxy)silane;tridecane is sourced from PubChem (CID 174970002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).