bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane

C36H74N2O12Si3 — CID 158393557

IUPACbis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane
SMILESCO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)OC)CC(=O)OC.CO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)OC)CC(=O)OC.[SiH4]
InChIInChI=1S/2C18H35NO6Si.H4Si/c2*1-23-17(21)14-19(15-18(22)24-2)16(20)12-10-8-6-4-5-7-9-11-13-26-25-3;/h2*4-15,26H2,1-3H3;1H4
InChIKeyGXGOCOMCWMTCML-UHFFFAOYSA-N
MW811.25 g/mol
LogP2.19
Rot. Bonds32

About bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane

bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane (PubChem CID 158393557) has the molecular formula C36H74N2O12Si3 and a molecular weight of 811.25 g/mol. Its IUPAC name is bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane.

Molecular Properties

Compound Namebis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane
PubChem CID158393557
Molecular FormulaC36H74N2O12Si3
Molecular Weight811.25 g/mol
Exact Mass810.45
IUPAC Namebis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane
SMILESCO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)OC)CC(=O)OC.CO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)OC)CC(=O)OC.[SiH4]
InChIInChI=1S/2C18H35NO6Si.H4Si/c2*1-23-17(21)14-19(15-18(22)24-2)16(20)12-10-8-6-4-5-7-9-11-13-26-25-3;/h2*4-15,26H2,1-3H3;1H4
InChIKeyGXGOCOMCWMTCML-UHFFFAOYSA-N
XLogP2.19
TPSA164.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid
CID 123636694
methyl 11-methoxysilylundecanoate
CID 123472128
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
methyl 8-[bis[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethyl]amino]-8-oxooctanoate
CID 170371359
methyl 5-(diethylamino)-5-oxopentanoate
CID 12618393
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
CID 62954646
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
11-methoxysilylundecylphosphonic acid
CID 123212644

Frequently Asked Questions

What is the IUPAC name of bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane?
The IUPAC name of bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane (CID 158393557) is bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane.
What is the SMILES notation for bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane?
The canonical SMILES for bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane is CO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)OC)CC(=O)OC.CO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)OC)CC(=O)OC.[SiH4].
What is the InChIKey of bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane?
The InChIKey is GXGOCOMCWMTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H35NO6Si.H4Si/c2*1-23-17(21)14-19(15-18(22)24-2)16(20)12-10-8-6-4-5-7-9-11-13-26-25-3;/h2*4-15,26H2,1-3H3;1H4.
What are the key properties of bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane?
bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane has a molecular weight of 811.25 g/mol, XLogP of 2.19, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane is sourced from PubChem (CID 158393557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).