hexyl trimethyl silicate

C9H22O4Si — CID 524743

IUPAChexyl trimethyl silicate
SMILESCCCCCCO[Si](OC)(OC)OC
InChIInChI=1S/C9H22O4Si/c1-5-6-7-8-9-13-14(10-2,11-3)12-4/h5-9H2,1-4H3
InChIKeyPRCXOKOKQIFIFJ-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.96
Rot. Bonds9

About hexyl trimethyl silicate

hexyl trimethyl silicate (PubChem CID 524743) has the molecular formula C9H22O4Si and a molecular weight of 222.36 g/mol. Its IUPAC name is hexyl trimethyl silicate.

Molecular Properties

Compound Namehexyl trimethyl silicate
PubChem CID524743
Molecular FormulaC9H22O4Si
Molecular Weight222.36 g/mol
Exact Mass222.13
IUPAC Namehexyl trimethyl silicate
SMILESCCCCCCO[Si](OC)(OC)OC
InChIInChI=1S/C9H22O4Si/c1-5-6-7-8-9-13-14(10-2,11-3)12-4/h5-9H2,1-4H3
InChIKeyPRCXOKOKQIFIFJ-UHFFFAOYSA-N
XLogP1.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.96
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 hexyl trimethyl silicate?
The IUPAC name of hexyl trimethyl silicate (CID 524743) is hexyl trimethyl silicate.
What is the SMILES notation for hexyl trimethyl silicate?
The canonical SMILES for hexyl trimethyl silicate is CCCCCCO[Si](OC)(OC)OC.
What is the InChIKey of hexyl trimethyl silicate?
The InChIKey is PRCXOKOKQIFIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4Si/c1-5-6-7-8-9-13-14(10-2,11-3)12-4/h5-9H2,1-4H3.
What are the key properties of hexyl trimethyl silicate?
hexyl trimethyl silicate has a molecular weight of 222.36 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl trimethyl silicate is sourced from PubChem (CID 524743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).