bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane

C59H82O15 — CID 161390810

IUPACbis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C27H32O7.C12H18O4.C10H16.2C5H8O2/c1-5-25(28)33-18-16-30-15-17-31-23-11-7-21(8-12-23)27(3,4)22-9-13-24(14-10-22)32-19-20-34-26(29)6-2;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-5(6)7-4-2/h5-14H,1-2,15-20H2,3-4H3;3-4H,1-2,5-10H2;7-10H,1-6H2;2*3H,1,4H2,2H3
InChIKeyVSYQKKNPKDHNCG-UHFFFAOYSA-N
MW1031.29 g/mol
LogP10.55
Rot. Bonds28

About bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane

bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane (PubChem CID 161390810) has the molecular formula C59H82O15 and a molecular weight of 1031.29 g/mol. Its IUPAC name is bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Namebis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane
PubChem CID161390810
Molecular FormulaC59H82O15
Molecular Weight1031.29 g/mol
Exact Mass1030.57
IUPAC Namebis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C27H32O7.C12H18O4.C10H16.2C5H8O2/c1-5-25(28)33-18-16-30-15-17-31-23-11-7-21(8-12-23)27(3,4)22-9-13-24(14-10-22)32-19-20-34-26(29)6-2;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-5(6)7-4-2/h5-14H,1-2,15-20H2,3-4H3;3-4H,1-2,5-10H2;7-10H,1-6H2;2*3H,1,4H2,2H3
InChIKeyVSYQKKNPKDHNCG-UHFFFAOYSA-N
XLogP10.55
TPSA185.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.29
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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'}

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Related Compounds

2-[3-[4-[2-[4-[3-(2-prop-2-enoyloxyethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]ethyl prop-2-enoate
CID 158911579
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate;3-[3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 165050415
dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate
CID 167590150
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylprop-2-enoate;methyl prop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tris(tricyclo[5.2.1.02,6]decane);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 159017914
2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59129637
2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 100992588
2-[2-[2-[2-[4-[2-[4-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 101011934

Frequently Asked Questions

What is the IUPAC name of bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane?
The IUPAC name of bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane (CID 161390810) is bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane?
The canonical SMILES for bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1.
What is the InChIKey of bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane?
The InChIKey is VSYQKKNPKDHNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O7.C12H18O4.C10H16.2C5H8O2/c1-5-25(28)33-18-16-30-15-17-31-23-11-7-21(8-12-23)27(3,4)22-9-13-24(14-10-22)32-19-20-34-26(29)6-2;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-5(6)7-4-2/h5-14H,1-2,15-20H2,3-4H3;3-4H,1-2,5-10H2;7-10H,1-6H2;2*3H,1,4H2,2H3.
What are the key properties of bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane?
bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane has a molecular weight of 1031.29 g/mol, XLogP of 10.55, 28 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 161390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).