5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate

C111H166O42 — CID 157055380

IUPAC5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
SMILESC.C.C.C.C.C.C.C=CC(=O)OCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCCCCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCCCCCC(COC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C18H26O6.C17H24O6.2C15H20O6.C14H18O6.C13H16O6.C12H14O6.7CH4/c1-4-16(19)22-12-10-8-7-9-11-15(13-23-17(20)5-2)14-24-18(21)6-3;1-4-15(18)21-12-10-8-7-9-11-14(23-17(20)6-3)13-22-16(19)5-2;1-4-13(16)19-9-7-8-12(10-20-14(17)5-2)11-21-15(18)6-3;1-4-13(16)19-10-8-7-9-12(21-15(18)6-3)11-20-14(17)5-2;1-4-12(15)18-9-7-8-11(20-14(17)6-3)10-19-13(16)5-2;1-4-11(14)17-7-10(8-18-12(15)5-2)9-19-13(16)6-3;1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2;;;;;;;/h4-6,15H,1-3,7-14H2;4-6,14H,1-3,7-13H2;2*4-6,12H,1-3,7-11H2;4-6,11H,1-3,7-10H2;4-6,10H,1-3,7-9H2;4-6,9H,1-3,7-8H2;7*1H4
InChIKeyAARRLGJSAPYBAV-UHFFFAOYSA-N
MW2172.51 g/mol
LogP15.63
Rot. Bonds76

About 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate

5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate (PubChem CID 157055380) has the molecular formula C111H166O42 and a molecular weight of 2172.51 g/mol. Its IUPAC name is 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate.

Molecular Properties

Compound Name5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
PubChem CID157055380
Molecular FormulaC111H166O42
Molecular Weight2172.51 g/mol
Exact Mass2171.09
IUPAC Name5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
SMILESC.C.C.C.C.C.C.C=CC(=O)OCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCCCCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCCCCCC(COC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C18H26O6.C17H24O6.2C15H20O6.C14H18O6.C13H16O6.C12H14O6.7CH4/c1-4-16(19)22-12-10-8-7-9-11-15(13-23-17(20)5-2)14-24-18(21)6-3;1-4-15(18)21-12-10-8-7-9-11-14(23-17(20)6-3)13-22-16(19)5-2;1-4-13(16)19-9-7-8-12(10-20-14(17)5-2)11-21-15(18)6-3;1-4-13(16)19-10-8-7-9-12(21-15(18)6-3)11-20-14(17)5-2;1-4-12(15)18-9-7-8-11(20-14(17)6-3)10-19-13(16)5-2;1-4-11(14)17-7-10(8-18-12(15)5-2)9-19-13(16)6-3;1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2;;;;;;;/h4-6,15H,1-3,7-14H2;4-6,14H,1-3,7-13H2;2*4-6,12H,1-3,7-11H2;4-6,11H,1-3,7-10H2;4-6,10H,1-3,7-9H2;4-6,9H,1-3,7-8H2;7*1H4
InChIKeyAARRLGJSAPYBAV-UHFFFAOYSA-N
XLogP15.63
TPSA552.30 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds76
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002172.51
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate with MolForge

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Related Compounds

4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate
CID 146374436
(2-prop-2-enoyloxy-6-sulfanylidenehexyl) prop-2-enoate
CID 18431296
(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate
CID 141014379
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-octyldecyl prop-2-enoate
CID 71353023
3-hexylnonyl prop-2-enoate;4-nonyltridecyl prop-2-enoate;4-octyltridecyl prop-2-enoate;3-pentyldecyl prop-2-enoate
CID 159209362

Frequently Asked Questions

What is the IUPAC name of 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
The IUPAC name of 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate (CID 157055380) is 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate.
What is the SMILES notation for 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
The canonical SMILES for 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate is C.C.C.C.C.C.C.C=CC(=O)OCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCCC(COC(=O)C=C)OC(=O)C=C.C=CC(=O)OCCCCCCC(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCCCCCC(COC(=O)C=C)OC(=O)C=C.
What is the InChIKey of 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
The InChIKey is AARRLGJSAPYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6.C17H24O6.2C15H20O6.C14H18O6.C13H16O6.C12H14O6.7CH4/c1-4-16(19)22-12-10-8-7-9-11-15(13-23-17(20)5-2)14-24-18(21)6-3;1-4-15(18)21-12-10-8-7-9-11-14(23-17(20)6-3)13-22-16(19)5-2;1-4-13(16)19-9-7-8-12(10-20-14(17)5-2)11-21-15(18)6-3;1-4-13(16)19-10-8-7-9-12(21-15(18)6-3)11-20-14(17)5-2;1-4-12(15)18-9-7-8-11(20-14(17)6-3)10-19-13(16)5-2;1-4-11(14)17-7-10(8-18-12(15)5-2)9-19-13(16)6-3;1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2;;;;;;;/h4-6,15H,1-3,7-14H2;4-6,14H,1-3,7-13H2;2*4-6,12H,1-3,7-11H2;4-6,11H,1-3,7-10H2;4-6,10H,1-3,7-9H2;4-6,9H,1-3,7-8H2;7*1H4.
What are the key properties of 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate has a molecular weight of 2172.51 g/mol, XLogP of 15.63, 76 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate is sourced from PubChem (CID 157055380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).