[chloromethyl(dimethyl)silyl] octanoate

C11H23ClO2Si — CID 554833

IUPAC[chloromethyl(dimethyl)silyl] octanoate
SMILESCCCCCCCC(=O)O[Si](C)(C)CCl
InChIInChI=1S/C11H23ClO2Si/c1-4-5-6-7-8-9-11(13)14-15(2,3)10-12/h4-10H2,1-3H3
InChIKeyFQPXHIDCWUOWSZ-UHFFFAOYSA-N
MW250.84 g/mol
LogP3.87
Rot. Bonds8

About [chloromethyl(dimethyl)silyl] octanoate

[chloromethyl(dimethyl)silyl] octanoate (PubChem CID 554833) has the molecular formula C11H23ClO2Si and a molecular weight of 250.84 g/mol. Its IUPAC name is [chloromethyl(dimethyl)silyl] octanoate.

Molecular Properties

Compound Name[chloromethyl(dimethyl)silyl] octanoate
PubChem CID554833
Molecular FormulaC11H23ClO2Si
Molecular Weight250.84 g/mol
Exact Mass250.12
IUPAC Name[chloromethyl(dimethyl)silyl] octanoate
SMILESCCCCCCCC(=O)O[Si](C)(C)CCl
InChIInChI=1S/C11H23ClO2Si/c1-4-5-6-7-8-9-11(13)14-15(2,3)10-12/h4-10H2,1-3H3
InChIKeyFQPXHIDCWUOWSZ-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.84
LogP ≤ 53.87
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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Related Compounds

[chloromethyl(dimethyl)silyl] butanoate
CID 554702
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
trimethylsilyl icosanoate
CID 521648
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[3-cyanopropyl(dimethyl)silyl] undecanoate
CID 91712847
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl octadecanoate;methyl octanoate
CID 157178883
methyl tetradecanoate
CID 89052795

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(dimethyl)silyl] octanoate?
The IUPAC name of [chloromethyl(dimethyl)silyl] octanoate (CID 554833) is [chloromethyl(dimethyl)silyl] octanoate.
What is the SMILES notation for [chloromethyl(dimethyl)silyl] octanoate?
The canonical SMILES for [chloromethyl(dimethyl)silyl] octanoate is CCCCCCCC(=O)O[Si](C)(C)CCl.
What is the InChIKey of [chloromethyl(dimethyl)silyl] octanoate?
The InChIKey is FQPXHIDCWUOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2Si/c1-4-5-6-7-8-9-11(13)14-15(2,3)10-12/h4-10H2,1-3H3.
What are the key properties of [chloromethyl(dimethyl)silyl] octanoate?
[chloromethyl(dimethyl)silyl] octanoate has a molecular weight of 250.84 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(dimethyl)silyl] octanoate is sourced from PubChem (CID 554833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).