2-chloroethyl-methyl-di(propan-2-yloxy)silane

C9H21ClO2Si — CID 87801071

IUPAC2-chloroethyl-methyl-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](C)(CCCl)OC(C)C
InChIInChI=1S/C9H21ClO2Si/c1-8(2)11-13(5,7-6-10)12-9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyBKNDMRRWFUYCSE-UHFFFAOYSA-N
MW224.80 g/mol
LogP3.15
Rot. Bonds6

About 2-chloroethyl-methyl-di(propan-2-yloxy)silane

2-chloroethyl-methyl-di(propan-2-yloxy)silane (PubChem CID 87801071) has the molecular formula C9H21ClO2Si and a molecular weight of 224.80 g/mol. Its IUPAC name is 2-chloroethyl-methyl-di(propan-2-yloxy)silane.

Molecular Properties

Compound Name2-chloroethyl-methyl-di(propan-2-yloxy)silane
PubChem CID87801071
Molecular FormulaC9H21ClO2Si
Molecular Weight224.80 g/mol
Exact Mass224.10
IUPAC Name2-chloroethyl-methyl-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](C)(CCCl)OC(C)C
InChIInChI=1S/C9H21ClO2Si/c1-8(2)11-13(5,7-6-10)12-9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyBKNDMRRWFUYCSE-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloroethyl-methyl-di(propan-2-yloxy)silane?
The IUPAC name of 2-chloroethyl-methyl-di(propan-2-yloxy)silane (CID 87801071) is 2-chloroethyl-methyl-di(propan-2-yloxy)silane.
What is the SMILES notation for 2-chloroethyl-methyl-di(propan-2-yloxy)silane?
The canonical SMILES for 2-chloroethyl-methyl-di(propan-2-yloxy)silane is CC(C)O[Si](C)(CCCl)OC(C)C.
What is the InChIKey of 2-chloroethyl-methyl-di(propan-2-yloxy)silane?
The InChIKey is BKNDMRRWFUYCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO2Si/c1-8(2)11-13(5,7-6-10)12-9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-chloroethyl-methyl-di(propan-2-yloxy)silane?
2-chloroethyl-methyl-di(propan-2-yloxy)silane has a molecular weight of 224.80 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-methyl-di(propan-2-yloxy)silane is sourced from PubChem (CID 87801071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).