dipentyl dipropan-2-yl silicate

C16H36O4Si — CID 57239154

IUPACdipentyl dipropan-2-yl silicate
SMILESCCCCCO[Si](OCCCCC)(OC(C)C)OC(C)C
InChIInChI=1S/C16H36O4Si/c1-7-9-11-13-17-21(19-15(3)4,20-16(5)6)18-14-12-10-8-2/h15-16H,7-14H2,1-6H3
InChIKeyMCXPJSRAFQFSEF-UHFFFAOYSA-N
MW320.55 g/mol
LogP4.69
Rot. Bonds14

About dipentyl dipropan-2-yl silicate

dipentyl dipropan-2-yl silicate (PubChem CID 57239154) has the molecular formula C16H36O4Si and a molecular weight of 320.55 g/mol. Its IUPAC name is dipentyl dipropan-2-yl silicate.

Molecular Properties

Compound Namedipentyl dipropan-2-yl silicate
PubChem CID57239154
Molecular FormulaC16H36O4Si
Molecular Weight320.55 g/mol
Exact Mass320.24
IUPAC Namedipentyl dipropan-2-yl silicate
SMILESCCCCCO[Si](OCCCCC)(OC(C)C)OC(C)C
InChIInChI=1S/C16H36O4Si/c1-7-9-11-13-17-21(19-15(3)4,20-16(5)6)18-14-12-10-8-2/h15-16H,7-14H2,1-6H3
InChIKeyMCXPJSRAFQFSEF-UHFFFAOYSA-N
XLogP4.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.69
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

decyl trihexyl silicate
CID 141280760
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
dipentyl dipropyl silicate
CID 524722
tributyl octyl silicate
CID 141280761
methyl tripentyl silicate
CID 524731
dimethyl propan-2-yl propyl silicate
CID 18339322
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
dimethyl pentyl propyl silicate
CID 524721

Frequently Asked Questions

What is the IUPAC name of dipentyl dipropan-2-yl silicate?
The IUPAC name of dipentyl dipropan-2-yl silicate (CID 57239154) is dipentyl dipropan-2-yl silicate.
What is the SMILES notation for dipentyl dipropan-2-yl silicate?
The canonical SMILES for dipentyl dipropan-2-yl silicate is CCCCCO[Si](OCCCCC)(OC(C)C)OC(C)C.
What is the InChIKey of dipentyl dipropan-2-yl silicate?
The InChIKey is MCXPJSRAFQFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si/c1-7-9-11-13-17-21(19-15(3)4,20-16(5)6)18-14-12-10-8-2/h15-16H,7-14H2,1-6H3.
What are the key properties of dipentyl dipropan-2-yl silicate?
dipentyl dipropan-2-yl silicate has a molecular weight of 320.55 g/mol, XLogP of 4.69, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl dipropan-2-yl silicate is sourced from PubChem (CID 57239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).