2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane

C16H36O2Si — CID 139767648

IUPAC2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane
SMILESCCCC(C)C(C)(C)[Si](CC(C)C)(OCC)OCC
InChIInChI=1S/C16H36O2Si/c1-9-12-15(6)16(7,8)19(17-10-2,18-11-3)13-14(4)5/h14-15H,9-13H2,1-8H3
InChIKeySETQKWZDXNZXOV-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.37
Rot. Bonds10

About 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane

2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane (PubChem CID 139767648) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane.

Molecular Properties

Compound Name2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane
PubChem CID139767648
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane
SMILESCCCC(C)C(C)(C)[Si](CC(C)C)(OCC)OCC
InChIInChI=1S/C16H36O2Si/c1-9-12-15(6)16(7,8)19(17-10-2,18-11-3)13-14(4)5/h14-15H,9-13H2,1-8H3
InChIKeySETQKWZDXNZXOV-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane?
The IUPAC name of 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane (CID 139767648) is 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane.
What is the SMILES notation for 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane?
The canonical SMILES for 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane is CCCC(C)C(C)(C)[Si](CC(C)C)(OCC)OCC.
What is the InChIKey of 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane?
The InChIKey is SETQKWZDXNZXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-9-12-15(6)16(7,8)19(17-10-2,18-11-3)13-14(4)5/h14-15H,9-13H2,1-8H3.
What are the key properties of 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane?
2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane has a molecular weight of 288.55 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane is sourced from PubChem (CID 139767648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).