triacetyloxysilyl propanoate

C9H14O8Si — CID 139651068

IUPACtriacetyloxysilyl propanoate
SMILESCCC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H14O8Si/c1-5-9(13)17-18(14-6(2)10,15-7(3)11)16-8(4)12/h5H2,1-4H3
InChIKeyGWLUQVMMXDJRRU-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.06
Rot. Bonds5

About triacetyloxysilyl propanoate

triacetyloxysilyl propanoate (PubChem CID 139651068) has the molecular formula C9H14O8Si and a molecular weight of 278.29 g/mol. Its IUPAC name is triacetyloxysilyl propanoate.

Molecular Properties

Compound Nametriacetyloxysilyl propanoate
PubChem CID139651068
Molecular FormulaC9H14O8Si
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Nametriacetyloxysilyl propanoate
SMILESCCC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H14O8Si/c1-5-9(13)17-18(14-6(2)10,15-7(3)11)16-8(4)12/h5H2,1-4H3
InChIKeyGWLUQVMMXDJRRU-UHFFFAOYSA-N
XLogP0.06
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

trimethoxysilyl propanoate
CID 87655017
CID 159416386
CID 159416386
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
CID 87594616
CID 87594616
[dibromo(propanoyloxy)silyl] propanoate
CID 139686973
acetyl propanoate;copper
CID 174868474
acetyl propanoate;cobalt
CID 88660334
[dimethoxy(methyl)silyl] propanoate
CID 87595419
tripropylsilyl propanoate
CID 604402
propanoyl (113C)propanoate
CID 91179573
[diacetyloxy(sulfanylmethyl)silyl] acetate
CID 23065821
triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane
CID 87359233

Frequently Asked Questions

What is the IUPAC name of triacetyloxysilyl propanoate?
The IUPAC name of triacetyloxysilyl propanoate (CID 139651068) is triacetyloxysilyl propanoate.
What is the SMILES notation for triacetyloxysilyl propanoate?
The canonical SMILES for triacetyloxysilyl propanoate is CCC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of triacetyloxysilyl propanoate?
The InChIKey is GWLUQVMMXDJRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O8Si/c1-5-9(13)17-18(14-6(2)10,15-7(3)11)16-8(4)12/h5H2,1-4H3.
What are the key properties of triacetyloxysilyl propanoate?
triacetyloxysilyl propanoate has a molecular weight of 278.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triacetyloxysilyl propanoate is sourced from PubChem (CID 139651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).