dibutyl dipentyl silicate

C18H40O4Si — CID 524713

IUPACdibutyl dipentyl silicate
SMILESCCCCCO[Si](OCCCC)(OCCCC)OCCCCC
InChIInChI=1S/C18H40O4Si/c1-5-9-13-17-21-23(19-15-11-7-3,20-16-12-8-4)22-18-14-10-6-2/h5-18H2,1-4H3
InChIKeySANWLOUHAIEHHJ-UHFFFAOYSA-N
MW348.60 g/mol
LogP5.47
Rot. Bonds18

About dibutyl dipentyl silicate

dibutyl dipentyl silicate (PubChem CID 524713) has the molecular formula C18H40O4Si and a molecular weight of 348.60 g/mol. Its IUPAC name is dibutyl dipentyl silicate.

Molecular Properties

Compound Namedibutyl dipentyl silicate
PubChem CID524713
Molecular FormulaC18H40O4Si
Molecular Weight348.60 g/mol
Exact Mass348.27
IUPAC Namedibutyl dipentyl silicate
SMILESCCCCCO[Si](OCCCC)(OCCCC)OCCCCC
InChIInChI=1S/C18H40O4Si/c1-5-9-13-17-21-23(19-15-11-7-3,20-16-12-8-4)22-18-14-10-6-2/h5-18H2,1-4H3
InChIKeySANWLOUHAIEHHJ-UHFFFAOYSA-N
XLogP5.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.47
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

tributyl pentyl silicate
CID 524737
tributyl octyl silicate
CID 141280761
triheptyl pentyl silicate
CID 141280740
decyl trihexyl silicate
CID 141280760
nonyl tripentyl silicate
CID 141280747
dipentyl dipropyl silicate
CID 524722
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
methyl tripentyl silicate
CID 524731
dimethyl pentyl propyl silicate
CID 524721
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
tetrabutyl silicate;tetrakis(dimethylsilyl) silicate
CID 160799729

Frequently Asked Questions

What is the IUPAC name of dibutyl dipentyl silicate?
The IUPAC name of dibutyl dipentyl silicate (CID 524713) is dibutyl dipentyl silicate.
What is the SMILES notation for dibutyl dipentyl silicate?
The canonical SMILES for dibutyl dipentyl silicate is CCCCCO[Si](OCCCC)(OCCCC)OCCCCC.
What is the InChIKey of dibutyl dipentyl silicate?
The InChIKey is SANWLOUHAIEHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4Si/c1-5-9-13-17-21-23(19-15-11-7-3,20-16-12-8-4)22-18-14-10-6-2/h5-18H2,1-4H3.
What are the key properties of dibutyl dipentyl silicate?
dibutyl dipentyl silicate has a molecular weight of 348.60 g/mol, XLogP of 5.47, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl dipentyl silicate is sourced from PubChem (CID 524713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).