triheptyl pentyl silicate

C26H56O4Si — CID 141280740

IUPACtriheptyl pentyl silicate
SMILESCCCCCCCO[Si](OCCCCC)(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C26H56O4Si/c1-5-9-13-16-20-24-28-31(27-23-19-12-8-4,29-25-21-17-14-10-6-2)30-26-22-18-15-11-7-3/h5-26H2,1-4H3
InChIKeyPSERLMSGKUWUFS-UHFFFAOYSA-N
MW460.82 g/mol
LogP8.59
Rot. Bonds26

About triheptyl pentyl silicate

triheptyl pentyl silicate (PubChem CID 141280740) has the molecular formula C26H56O4Si and a molecular weight of 460.82 g/mol. Its IUPAC name is triheptyl pentyl silicate.

Molecular Properties

Compound Nametriheptyl pentyl silicate
PubChem CID141280740
Molecular FormulaC26H56O4Si
Molecular Weight460.82 g/mol
Exact Mass460.39
IUPAC Nametriheptyl pentyl silicate
SMILESCCCCCCCO[Si](OCCCCC)(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C26H56O4Si/c1-5-9-13-16-20-24-28-31(27-23-19-12-8-4,29-25-21-17-14-10-6-2)30-26-22-18-15-11-7-3/h5-26H2,1-4H3
InChIKeyPSERLMSGKUWUFS-UHFFFAOYSA-N
XLogP8.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.82
LogP ≤ 58.59
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
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 triheptyl pentyl silicate?
The IUPAC name of triheptyl pentyl silicate (CID 141280740) is triheptyl pentyl silicate.
What is the SMILES notation for triheptyl pentyl silicate?
The canonical SMILES for triheptyl pentyl silicate is CCCCCCCO[Si](OCCCCC)(OCCCCCCC)OCCCCCCC.
What is the InChIKey of triheptyl pentyl silicate?
The InChIKey is PSERLMSGKUWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O4Si/c1-5-9-13-16-20-24-28-31(27-23-19-12-8-4,29-25-21-17-14-10-6-2)30-26-22-18-15-11-7-3/h5-26H2,1-4H3.
What are the key properties of triheptyl pentyl silicate?
triheptyl pentyl silicate has a molecular weight of 460.82 g/mol, XLogP of 8.59, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl pentyl silicate is sourced from PubChem (CID 141280740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).