decyl trihexyl silicate

C28H60O4Si — CID 141280760

IUPACdecyl trihexyl silicate
SMILESCCCCCCCCCCO[Si](OCCCCCC)(OCCCCCC)OCCCCCC
InChIInChI=1S/C28H60O4Si/c1-5-9-13-17-18-19-20-24-28-32-33(29-25-21-14-10-6-2,30-26-22-15-11-7-3)31-27-23-16-12-8-4/h5-28H2,1-4H3
InChIKeyBSQKBRSRIGHMRT-UHFFFAOYSA-N
MW488.87 g/mol
LogP9.37
Rot. Bonds28

About decyl trihexyl silicate

decyl trihexyl silicate (PubChem CID 141280760) has the molecular formula C28H60O4Si and a molecular weight of 488.87 g/mol. Its IUPAC name is decyl trihexyl silicate.

Molecular Properties

Compound Namedecyl trihexyl silicate
PubChem CID141280760
Molecular FormulaC28H60O4Si
Molecular Weight488.87 g/mol
Exact Mass488.43
IUPAC Namedecyl trihexyl silicate
SMILESCCCCCCCCCCO[Si](OCCCCCC)(OCCCCCC)OCCCCCC
InChIInChI=1S/C28H60O4Si/c1-5-9-13-17-18-19-20-24-28-32-33(29-25-21-14-10-6-2,30-26-22-15-11-7-3)31-27-23-16-12-8-4/h5-28H2,1-4H3
InChIKeyBSQKBRSRIGHMRT-UHFFFAOYSA-N
XLogP9.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.87
LogP ≤ 59.37
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

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
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
dipentyl dipropyl silicate
CID 524722
methyl tripentyl silicate
CID 524731
ethenyl trihexyl silicate
CID 22134263
hexoxy-dimethyl-undecoxysilane
CID 91742305
triheptoxy(methyl)silane
CID 525768

Frequently Asked Questions

What is the IUPAC name of decyl trihexyl silicate?
The IUPAC name of decyl trihexyl silicate (CID 141280760) is decyl trihexyl silicate.
What is the SMILES notation for decyl trihexyl silicate?
The canonical SMILES for decyl trihexyl silicate is CCCCCCCCCCO[Si](OCCCCCC)(OCCCCCC)OCCCCCC.
What is the InChIKey of decyl trihexyl silicate?
The InChIKey is BSQKBRSRIGHMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O4Si/c1-5-9-13-17-18-19-20-24-28-32-33(29-25-21-14-10-6-2,30-26-22-15-11-7-3)31-27-23-16-12-8-4/h5-28H2,1-4H3.
What are the key properties of decyl trihexyl silicate?
decyl trihexyl silicate has a molecular weight of 488.87 g/mol, XLogP of 9.37, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl trihexyl silicate is sourced from PubChem (CID 141280760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).