3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate

C14H27NO6Si — CID 158336407

IUPAC3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate
SMILESC=C(C)C(=O)COCCNC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C14H27NO6Si/c1-12(2)13(16)11-20-9-7-15-14(17)21-8-6-10-22(5,18-3)19-4/h1,6-11H2,2-5H3,(H,15,17)
InChIKeyQSFLFFMIWVJTES-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.63
Rot. Bonds12

About 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate

3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate (PubChem CID 158336407) has the molecular formula C14H27NO6Si and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate
PubChem CID158336407
Molecular FormulaC14H27NO6Si
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate
SMILESC=C(C)C(=O)COCCNC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C14H27NO6Si/c1-12(2)13(16)11-20-9-7-15-14(17)21-8-6-10-22(5,18-3)19-4/h1,6-11H2,2-5H3,(H,15,17)
InChIKeyQSFLFFMIWVJTES-UHFFFAOYSA-N
XLogP1.63
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58983328
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
3-[2-[dimethoxy(methyl)silyl]ethoxy]propyl 2-methylprop-2-enoate
CID 171586989
3-[3-[2-[dimethoxy(methyl)silyl]ethoxy]propoxy]propyl 2-methylprop-2-enoate
CID 171586980
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
CID 59838932
CID 59838932
3-[methyl-bis(methylperoxy)silyl]propyl 2-methylprop-2-enoate
CID 141453327
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate
CID 174110357
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 151724691
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate (CID 158336407) is 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate is C=C(C)C(=O)COCCNC(=O)OCCC[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate?
The InChIKey is QSFLFFMIWVJTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6Si/c1-12(2)13(16)11-20-9-7-15-14(17)21-8-6-10-22(5,18-3)19-4/h1,6-11H2,2-5H3,(H,15,17).
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate?
3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate has a molecular weight of 333.46 g/mol, XLogP of 1.63, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate is sourced from PubChem (CID 158336407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).