butan-2-yloxy-(chloromethyl)-dimethylsilane

C7H17ClOSi — CID 554676

IUPACbutan-2-yloxy-(chloromethyl)-dimethylsilane
SMILESCCC(C)O[Si](C)(C)CCl
InChIInChI=1S/C7H17ClOSi/c1-5-7(2)9-10(3,4)6-8/h7H,5-6H2,1-4H3
InChIKeyIUYCPMGXCJYDLQ-UHFFFAOYSA-N
MW180.75 g/mol
LogP2.78
Rot. Bonds4

About butan-2-yloxy-(chloromethyl)-dimethylsilane

butan-2-yloxy-(chloromethyl)-dimethylsilane (PubChem CID 554676) has the molecular formula C7H17ClOSi and a molecular weight of 180.75 g/mol. Its IUPAC name is butan-2-yloxy-(chloromethyl)-dimethylsilane.

Molecular Properties

Compound Namebutan-2-yloxy-(chloromethyl)-dimethylsilane
PubChem CID554676
Molecular FormulaC7H17ClOSi
Molecular Weight180.75 g/mol
Exact Mass180.07
IUPAC Namebutan-2-yloxy-(chloromethyl)-dimethylsilane
SMILESCCC(C)O[Si](C)(C)CCl
InChIInChI=1S/C7H17ClOSi/c1-5-7(2)9-10(3,4)6-8/h7H,5-6H2,1-4H3
InChIKeyIUYCPMGXCJYDLQ-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.75
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 butan-2-yloxy-(chloromethyl)-dimethylsilane?
The IUPAC name of butan-2-yloxy-(chloromethyl)-dimethylsilane (CID 554676) is butan-2-yloxy-(chloromethyl)-dimethylsilane.
What is the SMILES notation for butan-2-yloxy-(chloromethyl)-dimethylsilane?
The canonical SMILES for butan-2-yloxy-(chloromethyl)-dimethylsilane is CCC(C)O[Si](C)(C)CCl.
What is the InChIKey of butan-2-yloxy-(chloromethyl)-dimethylsilane?
The InChIKey is IUYCPMGXCJYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClOSi/c1-5-7(2)9-10(3,4)6-8/h7H,5-6H2,1-4H3.
What are the key properties of butan-2-yloxy-(chloromethyl)-dimethylsilane?
butan-2-yloxy-(chloromethyl)-dimethylsilane has a molecular weight of 180.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-(chloromethyl)-dimethylsilane is sourced from PubChem (CID 554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).