dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane

C11H14Cl2O2Si — CID 164816242

IUPACdichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCC1(C)OCc2cc([SiH](Cl)Cl)ccc2O1
InChIInChI=1S/C11H14Cl2O2Si/c1-3-11(2)14-7-8-6-9(16(12)13)4-5-10(8)15-11/h4-6,16H,3,7H2,1-2H3
InChIKeyLBDMHYKBHAQENK-UHFFFAOYSA-N
MW277.22 g/mol
LogP2.63
Rot. Bonds2

About dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane

dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane (PubChem CID 164816242) has the molecular formula C11H14Cl2O2Si and a molecular weight of 277.22 g/mol. Its IUPAC name is dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane.

Molecular Properties

Compound Namedichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
PubChem CID164816242
Molecular FormulaC11H14Cl2O2Si
Molecular Weight277.22 g/mol
Exact Mass276.01
IUPAC Namedichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCC1(C)OCc2cc([SiH](Cl)Cl)ccc2O1
InChIInChI=1S/C11H14Cl2O2Si/c1-3-11(2)14-7-8-6-9(16(12)13)4-5-10(8)15-11/h4-6,16H,3,7H2,1-2H3
InChIKeyLBDMHYKBHAQENK-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane?
The IUPAC name of dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane (CID 164816242) is dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane.
What is the SMILES notation for dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane?
The canonical SMILES for dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane is CCC1(C)OCc2cc([SiH](Cl)Cl)ccc2O1.
What is the InChIKey of dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane?
The InChIKey is LBDMHYKBHAQENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2Si/c1-3-11(2)14-7-8-6-9(16(12)13)4-5-10(8)15-11/h4-6,16H,3,7H2,1-2H3.
What are the key properties of dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane?
dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane has a molecular weight of 277.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane is sourced from PubChem (CID 164816242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).