2-methylhexan-2-yl(tripropoxy)silane

C16H36O3Si — CID 18999449

IUPAC2-methylhexan-2-yl(tripropoxy)silane
SMILESCCCCC(C)(C)[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C16H36O3Si/c1-7-11-12-16(5,6)20(17-13-8-2,18-14-9-3)19-15-10-4/h7-15H2,1-6H3
InChIKeyJMDLRRBZYKBZIH-UHFFFAOYSA-N
MW304.55 g/mol
LogP5.18
Rot. Bonds13

About 2-methylhexan-2-yl(tripropoxy)silane

2-methylhexan-2-yl(tripropoxy)silane (PubChem CID 18999449) has the molecular formula C16H36O3Si and a molecular weight of 304.55 g/mol. Its IUPAC name is 2-methylhexan-2-yl(tripropoxy)silane.

Molecular Properties

Compound Name2-methylhexan-2-yl(tripropoxy)silane
PubChem CID18999449
Molecular FormulaC16H36O3Si
Molecular Weight304.55 g/mol
Exact Mass304.24
IUPAC Name2-methylhexan-2-yl(tripropoxy)silane
SMILESCCCCC(C)(C)[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C16H36O3Si/c1-7-11-12-16(5,6)20(17-13-8-2,18-14-9-3)19-15-10-4/h7-15H2,1-6H3
InChIKeyJMDLRRBZYKBZIH-UHFFFAOYSA-N
XLogP5.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methylhexan-2-yl(tripropoxy)silane?
The IUPAC name of 2-methylhexan-2-yl(tripropoxy)silane (CID 18999449) is 2-methylhexan-2-yl(tripropoxy)silane.
What is the SMILES notation for 2-methylhexan-2-yl(tripropoxy)silane?
The canonical SMILES for 2-methylhexan-2-yl(tripropoxy)silane is CCCCC(C)(C)[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of 2-methylhexan-2-yl(tripropoxy)silane?
The InChIKey is JMDLRRBZYKBZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O3Si/c1-7-11-12-16(5,6)20(17-13-8-2,18-14-9-3)19-15-10-4/h7-15H2,1-6H3.
What are the key properties of 2-methylhexan-2-yl(tripropoxy)silane?
2-methylhexan-2-yl(tripropoxy)silane has a molecular weight of 304.55 g/mol, XLogP of 5.18, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-yl(tripropoxy)silane is sourced from PubChem (CID 18999449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).