chloromethyl-diethoxy-propan-2-yloxysilane

C8H19ClO3Si — CID 88748714

IUPACchloromethyl-diethoxy-propan-2-yloxysilane
SMILESCCO[Si](CCl)(OCC)OC(C)C
InChIInChI=1S/C8H19ClO3Si/c1-5-10-13(7-9,11-6-2)12-8(3)4/h8H,5-7H2,1-4H3
InChIKeyDVZSMXZUQKTIHF-UHFFFAOYSA-N
MW226.78 g/mol
LogP2.20
Rot. Bonds7

About chloromethyl-diethoxy-propan-2-yloxysilane

chloromethyl-diethoxy-propan-2-yloxysilane (PubChem CID 88748714) has the molecular formula C8H19ClO3Si and a molecular weight of 226.78 g/mol. Its IUPAC name is chloromethyl-diethoxy-propan-2-yloxysilane.

Molecular Properties

Compound Namechloromethyl-diethoxy-propan-2-yloxysilane
PubChem CID88748714
Molecular FormulaC8H19ClO3Si
Molecular Weight226.78 g/mol
Exact Mass226.08
IUPAC Namechloromethyl-diethoxy-propan-2-yloxysilane
SMILESCCO[Si](CCl)(OCC)OC(C)C
InChIInChI=1S/C8H19ClO3Si/c1-5-10-13(7-9,11-6-2)12-8(3)4/h8H,5-7H2,1-4H3
InChIKeyDVZSMXZUQKTIHF-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.78
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl-diethoxy-propan-2-yloxysilane?
The IUPAC name of chloromethyl-diethoxy-propan-2-yloxysilane (CID 88748714) is chloromethyl-diethoxy-propan-2-yloxysilane.
What is the SMILES notation for chloromethyl-diethoxy-propan-2-yloxysilane?
The canonical SMILES for chloromethyl-diethoxy-propan-2-yloxysilane is CCO[Si](CCl)(OCC)OC(C)C.
What is the InChIKey of chloromethyl-diethoxy-propan-2-yloxysilane?
The InChIKey is DVZSMXZUQKTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClO3Si/c1-5-10-13(7-9,11-6-2)12-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of chloromethyl-diethoxy-propan-2-yloxysilane?
chloromethyl-diethoxy-propan-2-yloxysilane has a molecular weight of 226.78 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-diethoxy-propan-2-yloxysilane is sourced from PubChem (CID 88748714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).