butyl tripropyl silicate

C13H30O4Si — CID 521676

IUPACbutyl tripropyl silicate
SMILESCCCCO[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C13H30O4Si/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-13H2,1-4H3
InChIKeyPNFOEDYLYMYNPJ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.52
Rot. Bonds13

About butyl tripropyl silicate

butyl tripropyl silicate (PubChem CID 521676) has the molecular formula C13H30O4Si and a molecular weight of 278.46 g/mol. Its IUPAC name is butyl tripropyl silicate.

Molecular Properties

Compound Namebutyl tripropyl silicate
PubChem CID521676
Molecular FormulaC13H30O4Si
Molecular Weight278.46 g/mol
Exact Mass278.19
IUPAC Namebutyl tripropyl silicate
SMILESCCCCO[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C13H30O4Si/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-13H2,1-4H3
InChIKeyPNFOEDYLYMYNPJ-UHFFFAOYSA-N
XLogP3.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of butyl tripropyl silicate?
The IUPAC name of butyl tripropyl silicate (CID 521676) is butyl tripropyl silicate.
What is the SMILES notation for butyl tripropyl silicate?
The canonical SMILES for butyl tripropyl silicate is CCCCO[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of butyl tripropyl silicate?
The InChIKey is PNFOEDYLYMYNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O4Si/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-13H2,1-4H3.
What are the key properties of butyl tripropyl silicate?
butyl tripropyl silicate has a molecular weight of 278.46 g/mol, XLogP of 3.52, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl tripropyl silicate is sourced from PubChem (CID 521676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).