[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-prop-2-enoxypropyl) 2-methyl-2-propylhexanoate
CID 169099011
[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 153430114
[3-(5-aminohexylamino)-2-hydroxypropyl] 2,2-dimethylundecanoate
CID 57084679
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
ethane-1,2-diamine;1-O-hexyl 5-O-[2-hydroxy-3-[2-(methylamino)ethylamino]propyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 91455357
[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
CID 87800382
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
CID 58122243
tetradecyl 2-methyl-2-propyldecanoate
CID 175595393
tetradecyl 2-methyl-2-propylundecanoate
CID 175595471
2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate
CID 142030334
N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate
CID 87852488

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).