propanoic acid;1,1,2-triethoxy-2-ethylsilinane

C16H34O5Si — CID 174783066

IUPACpropanoic acid;1,1,2-triethoxy-2-ethylsilinane
SMILESCCC(=O)O.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C13H28O3Si.C3H6O2/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-2-3(4)5/h5-12H2,1-4H3;2H2,1H3,(H,4,5)
InChIKeyFTFLDOFMNSTXDW-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.89
Rot. Bonds8

About propanoic acid;1,1,2-triethoxy-2-ethylsilinane

propanoic acid;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174783066) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is propanoic acid;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Namepropanoic acid;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174783066
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Namepropanoic acid;1,1,2-triethoxy-2-ethylsilinane
SMILESCCC(=O)O.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C13H28O3Si.C3H6O2/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-2-3(4)5/h5-12H2,1-4H3;2H2,1H3,(H,4,5)
InChIKeyFTFLDOFMNSTXDW-UHFFFAOYSA-N
XLogP3.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
CID 174609070
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240
1,1,2,2-tetraethoxysilinane
CID 174248265
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764

Frequently Asked Questions

What is the IUPAC name of propanoic acid;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of propanoic acid;1,1,2-triethoxy-2-ethylsilinane (CID 174783066) is propanoic acid;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for propanoic acid;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for propanoic acid;1,1,2-triethoxy-2-ethylsilinane is CCC(=O)O.CCOC1(CC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of propanoic acid;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is FTFLDOFMNSTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C3H6O2/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-2-3(4)5/h5-12H2,1-4H3;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;1,1,2-triethoxy-2-ethylsilinane?
propanoic acid;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 334.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174783066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).