[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate

C16H27NO9Si — CID 59812257

IUPAC[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)OC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C16H27NO9Si/c1-6-14(18)24-11-13(12-25-15(19)7-2)26-16(20)17-9-8-10-27(21-3,22-4)23-5/h6-7,13H,1-2,8-12H2,3-5H3,(H,17,20)
InChIKeyPABJLZSFNZHYLW-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.81
Rot. Bonds14

About [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate

[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate (PubChem CID 59812257) has the molecular formula C16H27NO9Si and a molecular weight of 405.48 g/mol. Its IUPAC name is [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate.

Molecular Properties

Compound Name[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate
PubChem CID59812257
Molecular FormulaC16H27NO9Si
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)OC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C16H27NO9Si/c1-6-14(18)24-11-13(12-25-15(19)7-2)26-16(20)17-9-8-10-27(21-3,22-4)23-5/h6-7,13H,1-2,8-12H2,3-5H3,(H,17,20)
InChIKeyPABJLZSFNZHYLW-UHFFFAOYSA-N
XLogP0.81
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate
CID 154506639
[2-[7-[1,3-di(prop-2-enoyloxy)propan-2-yloxycarbonylamino]heptanimidoyloxy]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 20749610
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
[3-[4-(3-acetyloxy-2-hydroxypropoxy)butoxy]-2-(butylcarbamoyloxy)propyl] prop-2-enoate
CID 123668303
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
[2-[3-[6-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]hexylamino]oxiran-2-yl]oxy-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 144517457
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate
CID 159808545
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
[2-[6-[3-[6-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]hexyl]-2,4,6-trioxo-5-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 126493099

Frequently Asked Questions

What is the IUPAC name of [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate?
The IUPAC name of [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate (CID 59812257) is [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate.
What is the SMILES notation for [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate?
The canonical SMILES for [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate is C=CC(=O)OCC(COC(=O)C=C)OC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate?
The InChIKey is PABJLZSFNZHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO9Si/c1-6-14(18)24-11-13(12-25-15(19)7-2)26-16(20)17-9-8-10-27(21-3,22-4)23-5/h6-7,13H,1-2,8-12H2,3-5H3,(H,17,20).
What are the key properties of [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate?
[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate has a molecular weight of 405.48 g/mol, XLogP of 0.81, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate is sourced from PubChem (CID 59812257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).