[3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate

C18H39NO5Si — CID 158124452

IUPAC[3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate
SMILESCCCCC(C)(CCC)C(=O)OCC(O)CNCCC[SiH](OC)OC
InChIInChI=1S/C18H39NO5Si/c1-6-8-11-18(3,10-7-2)17(21)24-15-16(20)14-19-12-9-13-25(22-4)23-5/h16,19-20,25H,6-15H2,1-5H3
InChIKeyZUYSTEYMRSSSHN-UHFFFAOYSA-N
MW377.60 g/mol
LogP2.38
Rot. Bonds16

About [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate

[3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate (PubChem CID 158124452) has the molecular formula C18H39NO5Si and a molecular weight of 377.60 g/mol. Its IUPAC name is [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate.

Molecular Properties

Compound Name[3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate
PubChem CID158124452
Molecular FormulaC18H39NO5Si
Molecular Weight377.60 g/mol
Exact Mass377.26
IUPAC Name[3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate
SMILESCCCCC(C)(CCC)C(=O)OCC(O)CNCCC[SiH](OC)OC
InChIInChI=1S/C18H39NO5Si/c1-6-8-11-18(3,10-7-2)17(21)24-15-16(20)14-19-12-9-13-25(22-4)23-5/h16,19-20,25H,6-15H2,1-5H3
InChIKeyZUYSTEYMRSSSHN-UHFFFAOYSA-N
XLogP2.38
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate?
The IUPAC name of [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate (CID 158124452) is [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate.
What is the SMILES notation for [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate?
The canonical SMILES for [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate is CCCCC(C)(CCC)C(=O)OCC(O)CNCCC[SiH](OC)OC.
What is the InChIKey of [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate?
The InChIKey is ZUYSTEYMRSSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO5Si/c1-6-8-11-18(3,10-7-2)17(21)24-15-16(20)14-19-12-9-13-25(22-4)23-5/h16,19-20,25H,6-15H2,1-5H3.
What are the key properties of [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate?
[3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate has a molecular weight of 377.60 g/mol, XLogP of 2.38, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-dimethoxysilylpropylamino)-2-hydroxypropyl] 2-methyl-2-propylhexanoate is sourced from PubChem (CID 158124452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).