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

C59H90N2O26 — CID 144520920

IUPACbut-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
SMILESC=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)NCCCCCCNC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C.C=CC(C)=O.C=CC=O
InChIInChI=1S/C52H80N2O24.C4H6O.C3H4O/c1-7-43(55)71-27-19-63-35-51(36-64-20-28-72-44(56)8-2,37-65-21-29-73-45(57)9-3)41-69-25-33-77-49(61)53-17-15-13-14-16-18-54-50(62)78-34-26-70-42-52(38-66-22-30-74-46(58)10-4,39-67-23-31-75-47(59)11-5)40-68-24-32-76-48(60)12-6;1-3-4(2)5;1-2-3-4/h7-12H,1-6,13-42H2,(H,53,61)(H,54,62);3H,1H2,2H3;2-3H,1H2
InChIKeyGMWPPXBNSHIBBP-UHFFFAOYSA-N
MW1243.36 g/mol
LogP3.61
Rot. Bonds55

About 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

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 (PubChem CID 144520920) has the molecular formula C59H90N2O26 and a molecular weight of 1243.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebut-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
PubChem CID144520920
Molecular FormulaC59H90N2O26
Molecular Weight1243.36 g/mol
Exact Mass1242.58
IUPAC Namebut-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
SMILESC=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)NCCCCCCNC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C.C=CC(C)=O.C=CC=O
InChIInChI=1S/C52H80N2O24.C4H6O.C3H4O/c1-7-43(55)71-27-19-63-35-51(36-64-20-28-72-44(56)8-2,37-65-21-29-73-45(57)9-3)41-69-25-33-77-49(61)53-17-15-13-14-16-18-54-50(62)78-34-26-70-42-52(38-66-22-30-74-46(58)10-4,39-67-23-31-75-47(59)11-5)40-68-24-32-76-48(60)12-6;1-3-4(2)5;1-2-3-4/h7-12H,1-6,13-42H2,(H,53,61)(H,54,62);3H,1H2,2H3;2-3H,1H2
InChIKeyGMWPPXBNSHIBBP-UHFFFAOYSA-N
XLogP3.61
TPSA342.44 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
[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-[2-[2-[2-[2-[6-[2,4,6-trioxo-3,5-bis[6-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 102032461
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
2-[6-[3,5-bis(6-acetamidohexyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl prop-2-enoate
CID 20801392
[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)NCCCCCCNC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C.C=CC(C)=O.C=CC=O.
What is the InChIKey of 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?
The InChIKey is GMWPPXBNSHIBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H80N2O24.C4H6O.C3H4O/c1-7-43(55)71-27-19-63-35-51(36-64-20-28-72-44(56)8-2,37-65-21-29-73-45(57)9-3)41-69-25-33-77-49(61)53-17-15-13-14-16-18-54-50(62)78-34-26-70-42-52(38-66-22-30-74-46(58)10-4,39-67-23-31-75-47(59)11-5)40-68-24-32-76-48(60)12-6;1-3-4(2)5;1-2-3-4/h7-12H,1-6,13-42H2,(H,53,61)(H,54,62);3H,1H2,2H3;2-3H,1H2.
What are the key properties of 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?
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 has a molecular weight of 1243.36 g/mol, XLogP of 3.61, 55 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144520920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).