triethyl hexyl silicate

C12H28O4Si — CID 524740

IUPACtriethyl hexyl silicate
SMILESCCCCCCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H28O4Si/c1-5-9-10-11-12-16-17(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
InChIKeyRSQXQPJKEFZBGI-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.13
Rot. Bonds12

About triethyl hexyl silicate

triethyl hexyl silicate (PubChem CID 524740) has the molecular formula C12H28O4Si and a molecular weight of 264.44 g/mol. Its IUPAC name is triethyl hexyl silicate.

Molecular Properties

Compound Nametriethyl hexyl silicate
PubChem CID524740
Molecular FormulaC12H28O4Si
Molecular Weight264.44 g/mol
Exact Mass264.18
IUPAC Nametriethyl hexyl silicate
SMILESCCCCCCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H28O4Si/c1-5-9-10-11-12-16-17(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
InChIKeyRSQXQPJKEFZBGI-UHFFFAOYSA-N
XLogP3.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.13
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

Silicic acid (H4SiO4), tetrapentyl ester
CID 80798
Tetrahexyl orthosilicate
CID 259636
Trimethoxy dodecanoxy silane
CID 18520304
n-Octyltrimethoxysiloxane
CID 140642489
Trimethyl 6,6,6-trifluorohexyl silicate
CID 87152992
Fluoro(trihexoxy)silane
CID 139977145
Hexyloxybutyloxydimethylsilane
CID 525760
Hexyloxyethoxydimethylsilane
CID 525761
Silane, dimethylhexyloxypropoxy-
CID 91733278
Silane, dimethylpentyloxyhexyloxy-
CID 91736691
Silane, butyloxy-, triamyloxy-
CID 524711
Silane, butyloxy-, trihexyloxy-
CID 524712

Frequently Asked Questions

What is the IUPAC name of triethyl hexyl silicate?
The IUPAC name of triethyl hexyl silicate (CID 524740) is triethyl hexyl silicate.
What is the SMILES notation for triethyl hexyl silicate?
The canonical SMILES for triethyl hexyl silicate is CCCCCCO[Si](OCC)(OCC)OCC.
What is the InChIKey of triethyl hexyl silicate?
The InChIKey is RSQXQPJKEFZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4Si/c1-5-9-10-11-12-16-17(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3.
What are the key properties of triethyl hexyl silicate?
triethyl hexyl silicate has a molecular weight of 264.44 g/mol, XLogP of 3.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl hexyl silicate is sourced from PubChem (CID 524740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).