trimethoxysilyl propanoate

C6H14O5Si — CID 87655017

IUPACtrimethoxysilyl propanoate
SMILESCCC(=O)O[Si](OC)(OC)OC
InChIInChI=1S/C6H14O5Si/c1-5-6(7)11-12(8-2,9-3)10-4/h5H2,1-4H3
InChIKeyOGAIOCMDTMQCCT-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.31
Rot. Bonds5

About trimethoxysilyl propanoate

trimethoxysilyl propanoate (PubChem CID 87655017) has the molecular formula C6H14O5Si and a molecular weight of 194.26 g/mol. Its IUPAC name is trimethoxysilyl propanoate.

Molecular Properties

Compound Nametrimethoxysilyl propanoate
PubChem CID87655017
Molecular FormulaC6H14O5Si
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Nametrimethoxysilyl propanoate
SMILESCCC(=O)O[Si](OC)(OC)OC
InChIInChI=1S/C6H14O5Si/c1-5-6(7)11-12(8-2,9-3)10-4/h5H2,1-4H3
InChIKeyOGAIOCMDTMQCCT-UHFFFAOYSA-N
XLogP0.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethoxysilyl butanoate
CID 14250206
[dimethoxy(methyl)silyl] propanoate
CID 87595419
triacetyloxysilyl propanoate
CID 139651068
CID 159416386
CID 159416386
[dibromo(propanoyloxy)silyl] propanoate
CID 139686973
ethanol;trimethoxysilyl 2-methylprop-2-enoate
CID 175501834
trimethoxysilyl carbamate
CID 87912999
tripropylsilyl propanoate
CID 604402
propanoyl (113C)propanoate
CID 91179573
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
sodium trimethoxysilyl carbonate
CID 88847093

Frequently Asked Questions

What is the IUPAC name of trimethoxysilyl propanoate?
The IUPAC name of trimethoxysilyl propanoate (CID 87655017) is trimethoxysilyl propanoate.
What is the SMILES notation for trimethoxysilyl propanoate?
The canonical SMILES for trimethoxysilyl propanoate is CCC(=O)O[Si](OC)(OC)OC.
What is the InChIKey of trimethoxysilyl propanoate?
The InChIKey is OGAIOCMDTMQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5Si/c1-5-6(7)11-12(8-2,9-3)10-4/h5H2,1-4H3.
What are the key properties of trimethoxysilyl propanoate?
trimethoxysilyl propanoate has a molecular weight of 194.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilyl propanoate is sourced from PubChem (CID 87655017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).