butyl tripentyl silicate

C19H42O4Si — CID 524711

IUPACbutyl tripentyl silicate
SMILESCCCCCO[Si](OCCCC)(OCCCCC)OCCCCC
InChIInChI=1S/C19H42O4Si/c1-5-9-13-17-21-24(20-16-12-8-4,22-18-14-10-6-2)23-19-15-11-7-3/h5-19H2,1-4H3
InChIKeyMXKIZZDYVQAIBO-UHFFFAOYSA-N
MW362.63 g/mol
LogP5.86
Rot. Bonds19

About butyl tripentyl silicate

butyl tripentyl silicate (PubChem CID 524711) has the molecular formula C19H42O4Si and a molecular weight of 362.63 g/mol. Its IUPAC name is butyl tripentyl silicate.

Molecular Properties

Compound Namebutyl tripentyl silicate
PubChem CID524711
Molecular FormulaC19H42O4Si
Molecular Weight362.63 g/mol
Exact Mass362.29
IUPAC Namebutyl tripentyl silicate
SMILESCCCCCO[Si](OCCCC)(OCCCCC)OCCCCC
InChIInChI=1S/C19H42O4Si/c1-5-9-13-17-21-24(20-16-12-8-4,22-18-14-10-6-2)23-19-15-11-7-3/h5-19H2,1-4H3
InChIKeyMXKIZZDYVQAIBO-UHFFFAOYSA-N
XLogP5.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 55.86
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

Tetrabutyl orthosilicate
CID 78500
Silicic acid (H4SiO4), tetrapentyl ester
CID 80798
Silane, tris(pentyloxy)-
CID 6335363
Tetrahexyl orthosilicate
CID 259636
Silane, dipropoxy-, dibutyloxy-
CID 521677
Tributyl propyl orthosilicate
CID 521678
Tripentyloxysilane
CID 87362
Fluoro(trihexoxy)silane
CID 139977145
Silane, ethoxy-, tributyloxy-
CID 524703
Silane, butyloxy-, trihexyloxy-
CID 524712
Silane, dibutyloxy-, diamyloxy-
CID 524713
Silane, dibutyloxy-, dihexyloxy-
CID 524714

Frequently Asked Questions

What is the IUPAC name of butyl tripentyl silicate?
The IUPAC name of butyl tripentyl silicate (CID 524711) is butyl tripentyl silicate.
What is the SMILES notation for butyl tripentyl silicate?
The canonical SMILES for butyl tripentyl silicate is CCCCCO[Si](OCCCC)(OCCCCC)OCCCCC.
What is the InChIKey of butyl tripentyl silicate?
The InChIKey is MXKIZZDYVQAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O4Si/c1-5-9-13-17-21-24(20-16-12-8-4,22-18-14-10-6-2)23-19-15-11-7-3/h5-19H2,1-4H3.
What are the key properties of butyl tripentyl silicate?
butyl tripentyl silicate has a molecular weight of 362.63 g/mol, XLogP of 5.86, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl tripentyl silicate is sourced from PubChem (CID 524711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).