[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane

C22H45NO6Si — CID 174964240

IUPAC[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
SMILESC=CC(=O)OCC(O)CNCCC.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C13H28O3Si.C9H17NO3/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-3-5-10-6-8(11)7-13-9(12)4-2/h5-12H2,1-4H3;4,8,10-11H,2-3,5-7H2,1H3
InChIKeyZFIZOZHNYDDELA-UHFFFAOYSA-N
MW447.69 g/mol
LogP3.49
Rot. Bonds14

About [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane

[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174964240) has the molecular formula C22H45NO6Si and a molecular weight of 447.69 g/mol. Its IUPAC name is [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Name[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174964240
Molecular FormulaC22H45NO6Si
Molecular Weight447.69 g/mol
Exact Mass447.30
IUPAC Name[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
SMILESC=CC(=O)OCC(O)CNCCC.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C13H28O3Si.C9H17NO3/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-3-5-10-6-8(11)7-13-9(12)4-2/h5-12H2,1-4H3;4,8,10-11H,2-3,5-7H2,1H3
InChIKeyZFIZOZHNYDDELA-UHFFFAOYSA-N
XLogP3.49
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.69
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
[2-hydroxy-3-(4-triethoxysilylbutanoylamino)propyl] prop-2-enoate;4-triethoxysilylbutan-1-amine;1,1,2-trimethoxy-2-propylsilinane
CID 175297530
toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
1,1,2,2-tetraethoxysilinane
CID 174248265

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane (CID 174964240) is [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane is C=CC(=O)OCC(O)CNCCC.CCOC1(CC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is ZFIZOZHNYDDELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C9H17NO3/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-3-5-10-6-8(11)7-13-9(12)4-2/h5-12H2,1-4H3;4,8,10-11H,2-3,5-7H2,1H3.
What are the key properties of [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane?
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 447.69 g/mol, XLogP of 3.49, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174964240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).