2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane

C9H20Cl2O2Si — CID 10682688

IUPAC2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC(CCl)CCl
InChIInChI=1S/C9H20Cl2O2Si/c1-14(2,3)5-4-12-8-13-9(6-10)7-11/h9H,4-8H2,1-3H3
InChIKeyGQOHTLXFFHJDNN-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.16
Rot. Bonds8

About 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane

2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane (PubChem CID 10682688) has the molecular formula C9H20Cl2O2Si and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane.

Molecular Properties

Compound Name2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane
PubChem CID10682688
Molecular FormulaC9H20Cl2O2Si
Molecular Weight259.25 g/mol
Exact Mass258.06
IUPAC Name2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC(CCl)CCl
InChIInChI=1S/C9H20Cl2O2Si/c1-14(2,3)5-4-12-8-13-9(6-10)7-11/h9H,4-8H2,1-3H3
InChIKeyGQOHTLXFFHJDNN-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane?
The IUPAC name of 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane (CID 10682688) is 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane.
What is the SMILES notation for 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane?
The canonical SMILES for 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane is C[Si](C)(C)CCOCOC(CCl)CCl.
What is the InChIKey of 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane?
The InChIKey is GQOHTLXFFHJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20Cl2O2Si/c1-14(2,3)5-4-12-8-13-9(6-10)7-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane?
2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane has a molecular weight of 259.25 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dichloropropan-2-yloxymethoxy)ethyl-trimethylsilane is sourced from PubChem (CID 10682688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).