dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate

C18H37NO7Si — CID 19601180

IUPACdibutyl 2-(3-trimethoxysilylpropylamino)butanedioate
SMILESCCCCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OCCCC
InChIInChI=1S/C18H37NO7Si/c1-6-8-12-25-17(20)15-16(18(21)26-13-9-7-2)19-11-10-14-27(22-3,23-4)24-5/h16,19H,6-15H2,1-5H3
InChIKeyUUUMZNRCIFLJFH-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.29
Rot. Bonds17

About dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate

dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate (PubChem CID 19601180) has the molecular formula C18H37NO7Si and a molecular weight of 407.58 g/mol. Its IUPAC name is dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate.

Molecular Properties

Compound Namedibutyl 2-(3-trimethoxysilylpropylamino)butanedioate
PubChem CID19601180
Molecular FormulaC18H37NO7Si
Molecular Weight407.58 g/mol
Exact Mass407.23
IUPAC Namedibutyl 2-(3-trimethoxysilylpropylamino)butanedioate
SMILESCCCCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OCCCC
InChIInChI=1S/C18H37NO7Si/c1-6-8-12-25-17(20)15-16(18(21)26-13-9-7-2)19-11-10-14-27(22-3,23-4)24-5/h16,19H,6-15H2,1-5H3
InChIKeyUUUMZNRCIFLJFH-UHFFFAOYSA-N
XLogP2.29
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The IUPAC name of dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate (CID 19601180) is dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate.
What is the SMILES notation for dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The canonical SMILES for dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate is CCCCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OCCCC.
What is the InChIKey of dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The InChIKey is UUUMZNRCIFLJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO7Si/c1-6-8-12-25-17(20)15-16(18(21)26-13-9-7-2)19-11-10-14-27(22-3,23-4)24-5/h16,19H,6-15H2,1-5H3.
What are the key properties of dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate?
dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate has a molecular weight of 407.58 g/mol, XLogP of 2.29, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl 2-(3-trimethoxysilylpropylamino)butanedioate is sourced from PubChem (CID 19601180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).