2,3-dimethylhexyl-tri(propan-2-yloxy)silane

C17H38O3Si — CID 18696430

IUPAC2,3-dimethylhexyl-tri(propan-2-yloxy)silane
SMILESCCCC(C)C(C)C[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C17H38O3Si/c1-10-11-16(8)17(9)12-21(18-13(2)3,19-14(4)5)20-15(6)7/h13-17H,10-12H2,1-9H3
InChIKeyWMJPAJZCPROMIJ-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.27
Rot. Bonds11

About 2,3-dimethylhexyl-tri(propan-2-yloxy)silane

2,3-dimethylhexyl-tri(propan-2-yloxy)silane (PubChem CID 18696430) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is 2,3-dimethylhexyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name2,3-dimethylhexyl-tri(propan-2-yloxy)silane
PubChem CID18696430
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name2,3-dimethylhexyl-tri(propan-2-yloxy)silane
SMILESCCCC(C)C(C)C[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C17H38O3Si/c1-10-11-16(8)17(9)12-21(18-13(2)3,19-14(4)5)20-15(6)7/h13-17H,10-12H2,1-9H3
InChIKeyWMJPAJZCPROMIJ-UHFFFAOYSA-N
XLogP5.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.27
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-tri(propan-2-yloxy)silane?
The IUPAC name of 2,3-dimethylhexyl-tri(propan-2-yloxy)silane (CID 18696430) is 2,3-dimethylhexyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 2,3-dimethylhexyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 2,3-dimethylhexyl-tri(propan-2-yloxy)silane is CCCC(C)C(C)C[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 2,3-dimethylhexyl-tri(propan-2-yloxy)silane?
The InChIKey is WMJPAJZCPROMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-10-11-16(8)17(9)12-21(18-13(2)3,19-14(4)5)20-15(6)7/h13-17H,10-12H2,1-9H3.
What are the key properties of 2,3-dimethylhexyl-tri(propan-2-yloxy)silane?
2,3-dimethylhexyl-tri(propan-2-yloxy)silane has a molecular weight of 318.57 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 18696430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).