[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate

C36H60N2O19Si2 — CID 154506639

IUPAC[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)NCCC[Si](OC)(OC)OC)COC(=O)NCCC[Si](OC)(OC)OC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C36H60N2O19Si2/c1-11-29(39)52-23-35(24-53-30(40)12-2,25-54-31(41)13-3)21-51-22-36(26-55-32(42)14-4,27-56-33(43)37-17-15-19-58(45-5,46-6)47-7)28-57-34(44)38-18-16-20-59(48-8,49-9)50-10/h11-14H,1-4,15-28H2,5-10H3,(H,37,43)(H,38,44)
InChIKeyKHXSPIRTGKHEDY-UHFFFAOYSA-N
MW881.04 g/mol
LogP1.88
Rot. Bonds34

About [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate

[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate (PubChem CID 154506639) has the molecular formula C36H60N2O19Si2 and a molecular weight of 881.04 g/mol. Its IUPAC name is [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate.

Molecular Properties

Compound Name[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate
PubChem CID154506639
Molecular FormulaC36H60N2O19Si2
Molecular Weight881.04 g/mol
Exact Mass880.33
IUPAC Name[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)NCCC[Si](OC)(OC)OC)COC(=O)NCCC[Si](OC)(OC)OC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C36H60N2O19Si2/c1-11-29(39)52-23-35(24-53-30(40)12-2,25-54-31(41)13-3)21-51-22-36(26-55-32(42)14-4,27-56-33(43)37-17-15-19-58(45-5,46-6)47-7)28-57-34(44)38-18-16-20-59(48-8,49-9)50-10/h11-14H,1-4,15-28H2,5-10H3,(H,37,43)(H,38,44)
InChIKeyKHXSPIRTGKHEDY-UHFFFAOYSA-N
XLogP1.88
TPSA246.47 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.04
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

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-[6-[2,2-bis[6-[[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]butoxycarbonylamino]hexylcarbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 170013040
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propylcarbamoyloxymethyl]-5-oxo-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]hept-6-enyl] prop-2-enoate
CID 158985965
[2-(acetyloxymethyl)-2-[[2,2-bis(prop-2-enoyloxymethyl)-3-[6-[2,4,6-trioxo-3,5-bis[6-[[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 135290877
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate
CID 59812257
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
but-3-en-2-one;prop-2-enal;2-[3-(2-prop-2-enoyloxyethoxy)-2-[2-[6-[2-[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]ethoxycarbonylamino]hexylcarbamoyloxy]ethoxymethyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 144520920
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
dimethyl 2,4-dimethylidene-3-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-3-(prop-2-enoyloxymethyl)pentanedioate
CID 90243979

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate?
The IUPAC name of [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate (CID 154506639) is [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate.
What is the SMILES notation for [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate?
The canonical SMILES for [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate is C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)NCCC[Si](OC)(OC)OC)COC(=O)NCCC[Si](OC)(OC)OC)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate?
The InChIKey is KHXSPIRTGKHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60N2O19Si2/c1-11-29(39)52-23-35(24-53-30(40)12-2,25-54-31(41)13-3)21-51-22-36(26-55-32(42)14-4,27-56-33(43)37-17-15-19-58(45-5,46-6)47-7)28-57-34(44)38-18-16-20-59(48-8,49-9)50-10/h11-14H,1-4,15-28H2,5-10H3,(H,37,43)(H,38,44).
What are the key properties of [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate?
[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate has a molecular weight of 881.04 g/mol, XLogP of 1.88, 34 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate is sourced from PubChem (CID 154506639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).