diethoxy-methyl-(5-methylhexan-3-yl)silane

C12H28O2Si — CID 175575147

IUPACdiethoxy-methyl-(5-methylhexan-3-yl)silane
SMILESCCO[Si](C)(OCC)C(CC)CC(C)C
InChIInChI=1S/C12H28O2Si/c1-7-12(10-11(4)5)15(6,13-8-2)14-9-3/h11-12H,7-10H2,1-6H3
InChIKeyWGFAMQBAKAPJNK-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.96
Rot. Bonds8

About diethoxy-methyl-(5-methylhexan-3-yl)silane

diethoxy-methyl-(5-methylhexan-3-yl)silane (PubChem CID 175575147) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is diethoxy-methyl-(5-methylhexan-3-yl)silane.

Molecular Properties

Compound Namediethoxy-methyl-(5-methylhexan-3-yl)silane
PubChem CID175575147
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namediethoxy-methyl-(5-methylhexan-3-yl)silane
SMILESCCO[Si](C)(OCC)C(CC)CC(C)C
InChIInChI=1S/C12H28O2Si/c1-7-12(10-11(4)5)15(6,13-8-2)14-9-3/h11-12H,7-10H2,1-6H3
InChIKeyWGFAMQBAKAPJNK-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.96
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 diethoxy-methyl-(5-methylhexan-3-yl)silane?
The IUPAC name of diethoxy-methyl-(5-methylhexan-3-yl)silane (CID 175575147) is diethoxy-methyl-(5-methylhexan-3-yl)silane.
What is the SMILES notation for diethoxy-methyl-(5-methylhexan-3-yl)silane?
The canonical SMILES for diethoxy-methyl-(5-methylhexan-3-yl)silane is CCO[Si](C)(OCC)C(CC)CC(C)C.
What is the InChIKey of diethoxy-methyl-(5-methylhexan-3-yl)silane?
The InChIKey is WGFAMQBAKAPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-7-12(10-11(4)5)15(6,13-8-2)14-9-3/h11-12H,7-10H2,1-6H3.
What are the key properties of diethoxy-methyl-(5-methylhexan-3-yl)silane?
diethoxy-methyl-(5-methylhexan-3-yl)silane has a molecular weight of 232.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-(5-methylhexan-3-yl)silane is sourced from PubChem (CID 175575147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).