tetrahexan-3-yl silicate

C24H52O4Si — CID 21446545

IUPACtetrahexan-3-yl silicate
SMILESCCCC(CC)O[Si](OC(CC)CCC)(OC(CC)CCC)OC(CC)CCC
InChIInChI=1S/C24H52O4Si/c1-9-17-21(13-5)25-29(26-22(14-6)18-10-2,27-23(15-7)19-11-3)28-24(16-8)20-12-4/h21-24H,9-20H2,1-8H3
InChIKeyZQQRFSOAJKLDKU-UHFFFAOYSA-N
MW432.76 g/mol
LogP7.80
Rot. Bonds20

About tetrahexan-3-yl silicate

tetrahexan-3-yl silicate (PubChem CID 21446545) has the molecular formula C24H52O4Si and a molecular weight of 432.76 g/mol. Its IUPAC name is tetrahexan-3-yl silicate.

Molecular Properties

Compound Nametetrahexan-3-yl silicate
PubChem CID21446545
Molecular FormulaC24H52O4Si
Molecular Weight432.76 g/mol
Exact Mass432.36
IUPAC Nametetrahexan-3-yl silicate
SMILESCCCC(CC)O[Si](OC(CC)CCC)(OC(CC)CCC)OC(CC)CCC
InChIInChI=1S/C24H52O4Si/c1-9-17-21(13-5)25-29(26-22(14-6)18-10-2,27-23(15-7)19-11-3)28-24(16-8)20-12-4/h21-24H,9-20H2,1-8H3
InChIKeyZQQRFSOAJKLDKU-UHFFFAOYSA-N
XLogP7.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.76
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrahexan-3-yl silicate?
The IUPAC name of tetrahexan-3-yl silicate (CID 21446545) is tetrahexan-3-yl silicate.
What is the SMILES notation for tetrahexan-3-yl silicate?
The canonical SMILES for tetrahexan-3-yl silicate is CCCC(CC)O[Si](OC(CC)CCC)(OC(CC)CCC)OC(CC)CCC.
What is the InChIKey of tetrahexan-3-yl silicate?
The InChIKey is ZQQRFSOAJKLDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O4Si/c1-9-17-21(13-5)25-29(26-22(14-6)18-10-2,27-23(15-7)19-11-3)28-24(16-8)20-12-4/h21-24H,9-20H2,1-8H3.
What are the key properties of tetrahexan-3-yl silicate?
tetrahexan-3-yl silicate has a molecular weight of 432.76 g/mol, XLogP of 7.80, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrahexan-3-yl silicate is sourced from PubChem (CID 21446545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).