tripropylsilyl propanoate

C12H26O2Si — CID 604402

IUPACtripropylsilyl propanoate
SMILESCCC[Si](CCC)(CCC)OC(=O)CC
InChIInChI=1S/C12H26O2Si/c1-5-9-15(10-6-2,11-7-3)14-12(13)8-4/h5-11H2,1-4H3
InChIKeyLECPLQDNGYWSPB-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.12
Rot. Bonds8

About tripropylsilyl propanoate

tripropylsilyl propanoate (PubChem CID 604402) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tripropylsilyl propanoate.

Molecular Properties

Compound Nametripropylsilyl propanoate
PubChem CID604402
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametripropylsilyl propanoate
SMILESCCC[Si](CCC)(CCC)OC(=O)CC
InChIInChI=1S/C12H26O2Si/c1-5-9-15(10-6-2,11-7-3)14-12(13)8-4/h5-11H2,1-4H3
InChIKeyLECPLQDNGYWSPB-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tripropylsilyl 4-hydroxybutanoate
CID 87706065
tributylsilyl butanoate
CID 615215
[dibromo(propanoyloxy)silyl] propanoate
CID 139686973
[dimethoxy(methyl)silyl] propanoate
CID 87595419
trimethoxysilyl propanoate
CID 87655017
[dimethyl(propoxy)silyl] propanoate
CID 23534071
triacetyloxysilyl propanoate
CID 139651068
propanoyl (113C)propanoate
CID 91179573
CID 159416386
CID 159416386
[dimethyl(propyl)silyl] 3-chloropropanoate
CID 141075999
trioctylsilyl 4-chlorobutanoate
CID 87706468
[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
CID 87144314

Frequently Asked Questions

What is the IUPAC name of tripropylsilyl propanoate?
The IUPAC name of tripropylsilyl propanoate (CID 604402) is tripropylsilyl propanoate.
What is the SMILES notation for tripropylsilyl propanoate?
The canonical SMILES for tripropylsilyl propanoate is CCC[Si](CCC)(CCC)OC(=O)CC.
What is the InChIKey of tripropylsilyl propanoate?
The InChIKey is LECPLQDNGYWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-9-15(10-6-2,11-7-3)14-12(13)8-4/h5-11H2,1-4H3.
What are the key properties of tripropylsilyl propanoate?
tripropylsilyl propanoate has a molecular weight of 230.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl propanoate is sourced from PubChem (CID 604402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).