3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid

C12H27NO5Si — CID 158760042

IUPAC3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid
SMILESCCOC(OCC)[SiH2]CCCN.O=CCCC(=O)O
InChIInChI=1S/C8H21NO2Si.C4H6O3/c1-3-10-8(11-4-2)12-7-5-6-9;5-3-1-2-4(6)7/h8H,3-7,9,12H2,1-2H3;3H,1-2H2,(H,6,7)
InChIKeyIOOADOJZCORJFT-UHFFFAOYSA-N
MW293.44 g/mol
LogP0.33
Rot. Bonds11

About 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid

3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid (PubChem CID 158760042) has the molecular formula C12H27NO5Si and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid.

Molecular Properties

Compound Name3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid
PubChem CID158760042
Molecular FormulaC12H27NO5Si
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid
SMILESCCOC(OCC)[SiH2]CCCN.O=CCCC(=O)O
InChIInChI=1S/C8H21NO2Si.C4H6O3/c1-3-10-8(11-4-2)12-7-5-6-9;5-3-1-2-4(6)7/h8H,3-7,9,12H2,1-2H3;3H,1-2H2,(H,6,7)
InChIKeyIOOADOJZCORJFT-UHFFFAOYSA-N
XLogP0.33
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(diethoxymethylsilyl)propyl hydrogen carbonate
CID 173009319
ethyl 3-(diethoxymethylsilyl)propanoate
CID 154146621
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
diethoxymethyl(tridecyl)silane
CID 154372881
4-hydroxybutanoic acid;4-oxobutanoic acid
CID 89310122
(E)-8-aminooct-4-enoic acid
CID 6365538
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 154063195
2-ethoxy-7-oxoheptanoic acid
CID 141127524
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
(1-ethoxy-2-formyloxyethyl) 8-aminooctanoate
CID 88689795
2-amino-6-oxohexanoic acid;1,1-diethoxyethane
CID 87538679

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid?
The IUPAC name of 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid (CID 158760042) is 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid.
What is the SMILES notation for 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid?
The canonical SMILES for 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid is CCOC(OCC)[SiH2]CCCN.O=CCCC(=O)O.
What is the InChIKey of 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid?
The InChIKey is IOOADOJZCORJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2Si.C4H6O3/c1-3-10-8(11-4-2)12-7-5-6-9;5-3-1-2-4(6)7/h8H,3-7,9,12H2,1-2H3;3H,1-2H2,(H,6,7).
What are the key properties of 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid?
3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid has a molecular weight of 293.44 g/mol, XLogP of 0.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid is sourced from PubChem (CID 158760042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).