butoxy-(2-chloropropoxy)-dimethylsilane

C9H21ClO2Si — CID 91723713

IUPACbutoxy-(2-chloropropoxy)-dimethylsilane
SMILESCCCCO[Si](C)(C)OCC(C)Cl
InChIInChI=1S/C9H21ClO2Si/c1-5-6-7-11-13(3,4)12-8-9(2)10/h9H,5-8H2,1-4H3
InChIKeyZAJGCUXJNAUIKK-UHFFFAOYSA-N
MW224.80 g/mol
LogP3.15
Rot. Bonds7

About butoxy-(2-chloropropoxy)-dimethylsilane

butoxy-(2-chloropropoxy)-dimethylsilane (PubChem CID 91723713) has the molecular formula C9H21ClO2Si and a molecular weight of 224.80 g/mol. Its IUPAC name is butoxy-(2-chloropropoxy)-dimethylsilane.

Molecular Properties

Compound Namebutoxy-(2-chloropropoxy)-dimethylsilane
PubChem CID91723713
Molecular FormulaC9H21ClO2Si
Molecular Weight224.80 g/mol
Exact Mass224.10
IUPAC Namebutoxy-(2-chloropropoxy)-dimethylsilane
SMILESCCCCO[Si](C)(C)OCC(C)Cl
InChIInChI=1S/C9H21ClO2Si/c1-5-6-7-11-13(3,4)12-8-9(2)10/h9H,5-8H2,1-4H3
InChIKeyZAJGCUXJNAUIKK-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butoxy-(2-chloropropoxy)-dimethylsilane?
The IUPAC name of butoxy-(2-chloropropoxy)-dimethylsilane (CID 91723713) is butoxy-(2-chloropropoxy)-dimethylsilane.
What is the SMILES notation for butoxy-(2-chloropropoxy)-dimethylsilane?
The canonical SMILES for butoxy-(2-chloropropoxy)-dimethylsilane is CCCCO[Si](C)(C)OCC(C)Cl.
What is the InChIKey of butoxy-(2-chloropropoxy)-dimethylsilane?
The InChIKey is ZAJGCUXJNAUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO2Si/c1-5-6-7-11-13(3,4)12-8-9(2)10/h9H,5-8H2,1-4H3.
What are the key properties of butoxy-(2-chloropropoxy)-dimethylsilane?
butoxy-(2-chloropropoxy)-dimethylsilane has a molecular weight of 224.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(2-chloropropoxy)-dimethylsilane is sourced from PubChem (CID 91723713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).