[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate

C26H46N2O13Si — CID 162511771

IUPAC[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)NC(=O)OCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C26H46N2O13Si/c1-20(2)22(29)40-18-26(5,19-41-23(30)21(3)4)28-25(32)39-16-14-37-12-11-36-13-15-38-24(31)27-10-9-17-42(33-6,34-7)35-8/h1,3,9-19H2,2,4-8H3,(H,27,31)(H,28,32)
InChIKeySMJHNLXUICQQBZ-UHFFFAOYSA-N
MW622.74 g/mol
LogP1.74
Rot. Bonds23

About [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate

[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate (PubChem CID 162511771) has the molecular formula C26H46N2O13Si and a molecular weight of 622.74 g/mol. Its IUPAC name is [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate
PubChem CID162511771
Molecular FormulaC26H46N2O13Si
Molecular Weight622.74 g/mol
Exact Mass622.28
IUPAC Name[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)NC(=O)OCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C26H46N2O13Si/c1-20(2)22(29)40-18-26(5,19-41-23(30)21(3)4)28-25(32)39-16-14-37-12-11-36-13-15-38-24(31)27-10-9-17-42(33-6,34-7)35-8/h1,3,9-19H2,2,4-8H3,(H,27,31)(H,28,32)
InChIKeySMJHNLXUICQQBZ-UHFFFAOYSA-N
XLogP1.74
TPSA175.41 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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

6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034551

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate (CID 162511771) is [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)NC(=O)OCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
The InChIKey is SMJHNLXUICQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O13Si/c1-20(2)22(29)40-18-26(5,19-41-23(30)21(3)4)28-25(32)39-16-14-37-12-11-36-13-15-38-24(31)27-10-9-17-42(33-6,34-7)35-8/h1,3,9-19H2,2,4-8H3,(H,27,31)(H,28,32).
What are the key properties of [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate?
[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate has a molecular weight of 622.74 g/mol, XLogP of 1.74, 23 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162511771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).