methyl tripentyl silicate

C16H36O4Si — CID 524731

IUPACmethyl tripentyl silicate
SMILESCCCCCO[Si](OC)(OCCCCC)OCCCCC
InChIInChI=1S/C16H36O4Si/c1-5-8-11-14-18-21(17-4,19-15-12-9-6-2)20-16-13-10-7-3/h5-16H2,1-4H3
InChIKeyPKWNWHSONVFEON-UHFFFAOYSA-N
MW320.55 g/mol
LogP4.69
Rot. Bonds16

About methyl tripentyl silicate

methyl tripentyl silicate (PubChem CID 524731) has the molecular formula C16H36O4Si and a molecular weight of 320.55 g/mol. Its IUPAC name is methyl tripentyl silicate.

Molecular Properties

Compound Namemethyl tripentyl silicate
PubChem CID524731
Molecular FormulaC16H36O4Si
Molecular Weight320.55 g/mol
Exact Mass320.24
IUPAC Namemethyl tripentyl silicate
SMILESCCCCCO[Si](OC)(OCCCCC)OCCCCC
InChIInChI=1S/C16H36O4Si/c1-5-8-11-14-18-21(17-4,19-15-12-9-6-2)20-16-13-10-7-3/h5-16H2,1-4H3
InChIKeyPKWNWHSONVFEON-UHFFFAOYSA-N
XLogP4.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
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

dimethyl pentyl propyl silicate
CID 524721
ethyl dimethyl pentyl silicate
CID 88851017
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
dibutyl dipentyl silicate
CID 524713
decyl trihexyl silicate
CID 141280760
nonyl tripentyl silicate
CID 141280747
tributyl pentyl silicate
CID 524737
triheptyl pentyl silicate
CID 141280740
dipentyl dipropyl silicate
CID 524722
tributyl octyl silicate
CID 141280761
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829

Frequently Asked Questions

What is the IUPAC name of methyl tripentyl silicate?
The IUPAC name of methyl tripentyl silicate (CID 524731) is methyl tripentyl silicate.
What is the SMILES notation for methyl tripentyl silicate?
The canonical SMILES for methyl tripentyl silicate is CCCCCO[Si](OC)(OCCCCC)OCCCCC.
What is the InChIKey of methyl tripentyl silicate?
The InChIKey is PKWNWHSONVFEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si/c1-5-8-11-14-18-21(17-4,19-15-12-9-6-2)20-16-13-10-7-3/h5-16H2,1-4H3.
What are the key properties of methyl tripentyl silicate?
methyl tripentyl silicate has a molecular weight of 320.55 g/mol, XLogP of 4.69, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tripentyl silicate is sourced from PubChem (CID 524731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).