[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate

C19H41NO6Si — CID 140930187

IUPAC[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate
SMILESCCCCC(C)(CCC)C(=O)OCC(O)CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H41NO6Si/c1-7-9-12-19(3,11-8-2)18(22)26-16-17(21)15-20-13-10-14-27(23-4,24-5)25-6/h17,20-21H,7-16H2,1-6H3
InChIKeyKWZGPIYHQGRHFD-UHFFFAOYSA-N
MW407.62 g/mol
LogP2.74
Rot. Bonds17

About [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate

[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate (PubChem CID 140930187) has the molecular formula C19H41NO6Si and a molecular weight of 407.62 g/mol. Its IUPAC name is [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate
PubChem CID140930187
Molecular FormulaC19H41NO6Si
Molecular Weight407.62 g/mol
Exact Mass407.27
IUPAC Name[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate
SMILESCCCCC(C)(CCC)C(=O)OCC(O)CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H41NO6Si/c1-7-9-12-19(3,11-8-2)18(22)26-16-17(21)15-20-13-10-14-27(23-4,24-5)25-6/h17,20-21H,7-16H2,1-6H3
InChIKeyKWZGPIYHQGRHFD-UHFFFAOYSA-N
XLogP2.74
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.62
LogP ≤ 52.74
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'}

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Related Compounds

[2-Hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate
CID 58654743
[2-Hydroxy-3-(2-hydroxyethylamino)propyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 147929883
[3-[2,3-dihydroxypropoxycarbonyl(3-trimethoxysilylpropyl)amino]-2-hydroxypropyl] 2-methyl-2-propylhexanoate;2,3-dihydroxypropyl N-(3-trimethoxysilylpropyl)carbamate;[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate
CID 157532543
[3-(3-Dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate
CID 158124452
[3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethylamino]-2-methoxypropyl] 2,2-dimethylpentadecanoate
CID 170612423

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate?
The IUPAC name of [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate (CID 140930187) is [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate.
What is the SMILES notation for [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate?
The canonical SMILES for [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate is CCCCC(C)(CCC)C(=O)OCC(O)CNCCC[Si](OC)(OC)OC.
What is the InChIKey of [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate?
The InChIKey is KWZGPIYHQGRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO6Si/c1-7-9-12-19(3,11-8-2)18(22)26-16-17(21)15-20-13-10-14-27(23-4,24-5)25-6/h17,20-21H,7-16H2,1-6H3.
What are the key properties of [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate?
[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate has a molecular weight of 407.62 g/mol, XLogP of 2.74, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate is sourced from PubChem (CID 140930187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).