2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate

C21H40N2O12Si — CID 162702779

IUPAC2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C21H40N2O12Si/c1-5-19(24)33-9-8-23-21(26)35-17-15-32-13-11-30-10-12-31-14-16-34-20(25)22-7-6-18-36(27-2,28-3)29-4/h5H,1,6-18H2,2-4H3,(H,22,25)(H,23,26)
InChIKeyWCZSOAZLJGNHQT-UHFFFAOYSA-N
MW540.64 g/mol
LogP0.49
Rot. Bonds23

About 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate

2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 162702779) has the molecular formula C21H40N2O12Si and a molecular weight of 540.64 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
PubChem CID162702779
Molecular FormulaC21H40N2O12Si
Molecular Weight540.64 g/mol
Exact Mass540.24
IUPAC Name2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C21H40N2O12Si/c1-5-19(24)33-9-8-23-21(26)35-17-15-32-13-11-30-10-12-31-14-16-34-20(25)22-7-6-18-36(27-2,28-3)29-4/h5H,1,6-18H2,2-4H3,(H,22,25)(H,23,26)
InChIKeyWCZSOAZLJGNHQT-UHFFFAOYSA-N
XLogP0.49
TPSA158.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.64
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
[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-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate
CID 59812257
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate (CID 162702779) is 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCOCCOCCOCCOC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is WCZSOAZLJGNHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O12Si/c1-5-19(24)33-9-8-23-21(26)35-17-15-32-13-11-30-10-12-31-14-16-34-20(25)22-7-6-18-36(27-2,28-3)29-4/h5H,1,6-18H2,2-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 540.64 g/mol, XLogP of 0.49, 23 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 162702779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).