tridodecyl ethyl silicate

C38H80O4Si — CID 154324829

IUPACtridodecyl ethyl silicate
SMILESCCCCCCCCCCCCO[Si](OCC)(OCCCCCCCCCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C38H80O4Si/c1-5-9-12-15-18-21-24-27-30-33-36-40-43(39-8-4,41-37-34-31-28-25-22-19-16-13-10-6-2)42-38-35-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3
InChIKeyRTKOAGGKMKCLCB-UHFFFAOYSA-N
MW629.14 g/mol
LogP13.27
Rot. Bonds38

About tridodecyl ethyl silicate

tridodecyl ethyl silicate (PubChem CID 154324829) has the molecular formula C38H80O4Si and a molecular weight of 629.14 g/mol. Its IUPAC name is tridodecyl ethyl silicate.

Molecular Properties

Compound Nametridodecyl ethyl silicate
PubChem CID154324829
Molecular FormulaC38H80O4Si
Molecular Weight629.14 g/mol
Exact Mass628.58
IUPAC Nametridodecyl ethyl silicate
SMILESCCCCCCCCCCCCO[Si](OCC)(OCCCCCCCCCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C38H80O4Si/c1-5-9-12-15-18-21-24-27-30-33-36-40-43(39-8-4,41-37-34-31-28-25-22-19-16-13-10-6-2)42-38-35-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3
InChIKeyRTKOAGGKMKCLCB-UHFFFAOYSA-N
XLogP13.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.14
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diethyl dioctyl silicate
CID 154218739
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
tributyl octyl silicate
CID 141280761
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
ethyl dimethyl pentyl silicate
CID 88851017
dipentyl dipropyl silicate
CID 524722
4-aminobutyl triethyl silicate
CID 140519735
methyl tripentyl silicate
CID 524731
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of tridodecyl ethyl silicate?
The IUPAC name of tridodecyl ethyl silicate (CID 154324829) is tridodecyl ethyl silicate.
What is the SMILES notation for tridodecyl ethyl silicate?
The canonical SMILES for tridodecyl ethyl silicate is CCCCCCCCCCCCO[Si](OCC)(OCCCCCCCCCCCC)OCCCCCCCCCCCC.
What is the InChIKey of tridodecyl ethyl silicate?
The InChIKey is RTKOAGGKMKCLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80O4Si/c1-5-9-12-15-18-21-24-27-30-33-36-40-43(39-8-4,41-37-34-31-28-25-22-19-16-13-10-6-2)42-38-35-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3.
What are the key properties of tridodecyl ethyl silicate?
tridodecyl ethyl silicate has a molecular weight of 629.14 g/mol, XLogP of 13.27, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tridodecyl ethyl silicate is sourced from PubChem (CID 154324829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).