diethoxy(6-methylheptoxy)silane

C12H28O3Si — CID 123574274

IUPACdiethoxy(6-methylheptoxy)silane
SMILESCCO[SiH](OCC)OCCCCCC(C)C
InChIInChI=1S/C12H28O3Si/c1-5-13-16(14-6-2)15-11-9-7-8-10-12(3)4/h12,16H,5-11H2,1-4H3
InChIKeyHDTRNWFUSMNMDP-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.01
Rot. Bonds11

About diethoxy(6-methylheptoxy)silane

diethoxy(6-methylheptoxy)silane (PubChem CID 123574274) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is diethoxy(6-methylheptoxy)silane.

Molecular Properties

Compound Namediethoxy(6-methylheptoxy)silane
PubChem CID123574274
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Namediethoxy(6-methylheptoxy)silane
SMILESCCO[SiH](OCC)OCCCCCC(C)C
InChIInChI=1S/C12H28O3Si/c1-5-13-16(14-6-2)15-11-9-7-8-10-12(3)4/h12,16H,5-11H2,1-4H3
InChIKeyHDTRNWFUSMNMDP-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethoxy(6-methylheptoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-17-methyloctadecane
CID 91042875
1-ethylperoxy-14-methylpentadecane
CID 175001574
6,6-dichlorohexoxy(dipropoxy)silane
CID 173438179
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
tri(undecoxy)silane
CID 123875078
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-hydroperoxy-6-methylheptane
CID 87470675
triethoxysilane;hydrochloride
CID 162327780
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
7-methyl-1-(2-methylpropoxy)octane
CID 23222552

Frequently Asked Questions

What is the IUPAC name of diethoxy(6-methylheptoxy)silane?
The IUPAC name of diethoxy(6-methylheptoxy)silane (CID 123574274) is diethoxy(6-methylheptoxy)silane.
What is the SMILES notation for diethoxy(6-methylheptoxy)silane?
The canonical SMILES for diethoxy(6-methylheptoxy)silane is CCO[SiH](OCC)OCCCCCC(C)C.
What is the InChIKey of diethoxy(6-methylheptoxy)silane?
The InChIKey is HDTRNWFUSMNMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-5-13-16(14-6-2)15-11-9-7-8-10-12(3)4/h12,16H,5-11H2,1-4H3.
What are the key properties of diethoxy(6-methylheptoxy)silane?
diethoxy(6-methylheptoxy)silane has a molecular weight of 248.44 g/mol, XLogP of 3.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(6-methylheptoxy)silane is sourced from PubChem (CID 123574274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).