3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate

C15H27NO7Si — CID 158930911

IUPAC3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate
SMILESC=C(C)C(=O)OCCCOC(=O)CCC(=O)NC[Si](C)(OC)OC
InChIInChI=1S/C15H27NO7Si/c1-12(2)15(19)23-10-6-9-22-14(18)8-7-13(17)16-11-24(5,20-3)21-4/h1,6-11H2,2-5H3,(H,16,17)
InChIKeyBUHZJRQPMAJJDH-UHFFFAOYSA-N
MW361.47 g/mol
LogP0.84
Rot. Bonds12

About 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate

3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate (PubChem CID 158930911) has the molecular formula C15H27NO7Si and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate
PubChem CID158930911
Molecular FormulaC15H27NO7Si
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate
SMILESC=C(C)C(=O)OCCCOC(=O)CCC(=O)NC[Si](C)(OC)OC
InChIInChI=1S/C15H27NO7Si/c1-12(2)15(19)23-10-6-9-22-14(18)8-7-13(17)16-11-24(5,20-3)21-4/h1,6-11H2,2-5H3,(H,16,17)
InChIKeyBUHZJRQPMAJJDH-UHFFFAOYSA-N
XLogP0.84
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate with MolForge

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Related Compounds

acetic acid;isocyanatomethyl-dimethoxy-methylsilane;4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-(2-methylprop-2-enoyloxy)ethyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate
CID 159196463
3-[3-[2-[dimethoxy(methyl)silyl]ethoxy]propoxy]propyl 2-methylprop-2-enoate
CID 171586980
3-[2-[dimethoxy(methyl)silyl]ethoxy]propyl 2-methylprop-2-enoate
CID 171586989
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate
CID 167678017
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
3-[2-[methoxy(dimethyl)silyl]ethyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140912977
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
3-[methyl-bis(methylperoxy)silyl]propyl 2-methylprop-2-enoate
CID 141453327
1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-propan-2-yl butanedioate
CID 59532922

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate (CID 158930911) is 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate.
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate is C=C(C)C(=O)OCCCOC(=O)CCC(=O)NC[Si](C)(OC)OC.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate?
The InChIKey is BUHZJRQPMAJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7Si/c1-12(2)15(19)23-10-6-9-22-14(18)8-7-13(17)16-11-24(5,20-3)21-4/h1,6-11H2,2-5H3,(H,16,17).
What are the key properties of 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate?
3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate has a molecular weight of 361.47 g/mol, XLogP of 0.84, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate is sourced from PubChem (CID 158930911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).