2,3-dimethylhexyl(tripropoxy)silane

C17H38O3Si — CID 18696442

IUPAC2,3-dimethylhexyl(tripropoxy)silane
SMILESCCCO[Si](CC(C)C(C)CCC)(OCCC)OCCC
InChIInChI=1S/C17H38O3Si/c1-7-11-16(5)17(6)15-21(18-12-8-2,19-13-9-3)20-14-10-4/h16-17H,7-15H2,1-6H3
InChIKeyJXGOAYUFDRHYCM-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.28
Rot. Bonds14

About 2,3-dimethylhexyl(tripropoxy)silane

2,3-dimethylhexyl(tripropoxy)silane (PubChem CID 18696442) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is 2,3-dimethylhexyl(tripropoxy)silane.

Molecular Properties

Compound Name2,3-dimethylhexyl(tripropoxy)silane
PubChem CID18696442
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name2,3-dimethylhexyl(tripropoxy)silane
SMILESCCCO[Si](CC(C)C(C)CCC)(OCCC)OCCC
InChIInChI=1S/C17H38O3Si/c1-7-11-16(5)17(6)15-21(18-12-8-2,19-13-9-3)20-14-10-4/h16-17H,7-15H2,1-6H3
InChIKeyJXGOAYUFDRHYCM-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.28
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 2,3-dimethylhexyl(tripropoxy)silane?
The IUPAC name of 2,3-dimethylhexyl(tripropoxy)silane (CID 18696442) is 2,3-dimethylhexyl(tripropoxy)silane.
What is the SMILES notation for 2,3-dimethylhexyl(tripropoxy)silane?
The canonical SMILES for 2,3-dimethylhexyl(tripropoxy)silane is CCCO[Si](CC(C)C(C)CCC)(OCCC)OCCC.
What is the InChIKey of 2,3-dimethylhexyl(tripropoxy)silane?
The InChIKey is JXGOAYUFDRHYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-7-11-16(5)17(6)15-21(18-12-8-2,19-13-9-3)20-14-10-4/h16-17H,7-15H2,1-6H3.
What are the key properties of 2,3-dimethylhexyl(tripropoxy)silane?
2,3-dimethylhexyl(tripropoxy)silane has a molecular weight of 318.57 g/mol, XLogP of 5.28, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexyl(tripropoxy)silane is sourced from PubChem (CID 18696442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).