[dimethyl(propyl)silyl] 3-chloropropanoate

C8H17ClO2Si — CID 141075999

IUPAC[dimethyl(propyl)silyl] 3-chloropropanoate
SMILESCCC[Si](C)(C)OC(=O)CCCl
InChIInChI=1S/C8H17ClO2Si/c1-4-7-12(2,3)11-8(10)5-6-9/h4-7H2,1-3H3
InChIKeyMWAVKQDIOVCHRN-UHFFFAOYSA-N
MW208.76 g/mol
LogP2.77
Rot. Bonds5

About [dimethyl(propyl)silyl] 3-chloropropanoate

[dimethyl(propyl)silyl] 3-chloropropanoate (PubChem CID 141075999) has the molecular formula C8H17ClO2Si and a molecular weight of 208.76 g/mol. Its IUPAC name is [dimethyl(propyl)silyl] 3-chloropropanoate.

Molecular Properties

Compound Name[dimethyl(propyl)silyl] 3-chloropropanoate
PubChem CID141075999
Molecular FormulaC8H17ClO2Si
Molecular Weight208.76 g/mol
Exact Mass208.07
IUPAC Name[dimethyl(propyl)silyl] 3-chloropropanoate
SMILESCCC[Si](C)(C)OC(=O)CCCl
InChIInChI=1S/C8H17ClO2Si/c1-4-7-12(2,3)11-8(10)5-6-9/h4-7H2,1-3H3
InChIKeyMWAVKQDIOVCHRN-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.76
LogP ≤ 52.77
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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Related Compounds

3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid
CID 90958516
[chloromethyl(dimethyl)silyl] butanoate
CID 554702
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[chloromethyl(dimethyl)silyl] octanoate
CID 554833
trioctylsilyl 4-chlorobutanoate
CID 87706468
tripropylsilyl 4-hydroxybutanoate
CID 87706065
[dimethyl(methylaminomethyl)silyl] butanoate
CID 150498480
[3-cyanopropyl(dimethyl)silyl] undecanoate
CID 91712847
tripropylsilyl propanoate
CID 604402
tributylsilyl butanoate
CID 615215
methyl 3-chloropropanoate;sulfurous acid
CID 174657219
hexyl 3-chloropropanoate
CID 522094

Frequently Asked Questions

What is the IUPAC name of [dimethyl(propyl)silyl] 3-chloropropanoate?
The IUPAC name of [dimethyl(propyl)silyl] 3-chloropropanoate (CID 141075999) is [dimethyl(propyl)silyl] 3-chloropropanoate.
What is the SMILES notation for [dimethyl(propyl)silyl] 3-chloropropanoate?
The canonical SMILES for [dimethyl(propyl)silyl] 3-chloropropanoate is CCC[Si](C)(C)OC(=O)CCCl.
What is the InChIKey of [dimethyl(propyl)silyl] 3-chloropropanoate?
The InChIKey is MWAVKQDIOVCHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2Si/c1-4-7-12(2,3)11-8(10)5-6-9/h4-7H2,1-3H3.
What are the key properties of [dimethyl(propyl)silyl] 3-chloropropanoate?
[dimethyl(propyl)silyl] 3-chloropropanoate has a molecular weight of 208.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propyl)silyl] 3-chloropropanoate is sourced from PubChem (CID 141075999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).