[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate

C132H204O36 — CID 161277316

IUPAC[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate
SMILESC=CC(=O)OC(CC(C)(C)C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OC(CC(C)(C)C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OC(CC(C)(C)C)C(OC(=O)C=C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OCC(C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.C=CC(=O)OCC(C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.C=CC(=O)OCC(C(OC(=O)C=C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C
InChIInChI=1S/2C26H38O8.2C22H34O6.2C18H30O4/c1-11-19(27)31-16-17(26(8,9)10)23(33-21(29)13-3)24(34-22(30)14-4)18(15-25(5,6)7)32-20(28)12-2;1-11-19(27)31-17(15-25(5,6)7)23(33-21(29)13-3)24(34-22(30)14-4)18(16-26(8,9)10)32-20(28)12-2;1-10-17(23)26-14-15(22(7,8)9)20(28-19(25)12-3)16(13-21(4,5)6)27-18(24)11-2;1-10-17(23)26-15(13-21(4,5)6)20(28-19(25)12-3)16(14-22(7,8)9)27-18(24)11-2;1-9-15(19)21-12-13(18(6,7)8)14(11-17(3,4)5)22-16(20)10-2;1-9-15(19)21-13(11-17(3,4)5)14(12-18(6,7)8)22-16(20)10-2/h2*11-14,17-18,23-24H,1-4,15-16H2,5-10H3;2*10-12,15-16,20H,1-3,13-14H2,4-9H3;2*9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeyVEPNZVPRONPGOK-UHFFFAOYSA-N
MW2367.05 g/mol
LogP24.49
Rot. Bonds60

About [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate

[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate (PubChem CID 161277316) has the molecular formula C132H204O36 and a molecular weight of 2367.05 g/mol. Its IUPAC name is [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate
PubChem CID161277316
Molecular FormulaC132H204O36
Molecular Weight2367.05 g/mol
Exact Mass2365.41
IUPAC Name[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate
SMILESC=CC(=O)OC(CC(C)(C)C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OC(CC(C)(C)C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OC(CC(C)(C)C)C(OC(=O)C=C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OCC(C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.C=CC(=O)OCC(C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.C=CC(=O)OCC(C(OC(=O)C=C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C
InChIInChI=1S/2C26H38O8.2C22H34O6.2C18H30O4/c1-11-19(27)31-16-17(26(8,9)10)23(33-21(29)13-3)24(34-22(30)14-4)18(15-25(5,6)7)32-20(28)12-2;1-11-19(27)31-17(15-25(5,6)7)23(33-21(29)13-3)24(34-22(30)14-4)18(16-26(8,9)10)32-20(28)12-2;1-10-17(23)26-14-15(22(7,8)9)20(28-19(25)12-3)16(13-21(4,5)6)27-18(24)11-2;1-10-17(23)26-15(13-21(4,5)6)20(28-19(25)12-3)16(14-22(7,8)9)27-18(24)11-2;1-9-15(19)21-12-13(18(6,7)8)14(11-17(3,4)5)22-16(20)10-2;1-9-15(19)21-13(11-17(3,4)5)14(12-18(6,7)8)22-16(20)10-2/h2*11-14,17-18,23-24H,1-4,15-16H2,5-10H3;2*10-12,15-16,20H,1-3,13-14H2,4-9H3;2*9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeyVEPNZVPRONPGOK-UHFFFAOYSA-N
XLogP24.49
TPSA473.40 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds60
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002367.05
LogP ≤ 524.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate with MolForge

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Related Compounds

[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate
CID 133126600
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 121290246
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-tert-butyl-2,3,3-trimethylbutanoate
CID 123574852
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929
2-[1,2-di(prop-2-enoyloxy)ethyl]but-3-enoic acid
CID 87313274
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
(3,3-dimethyl-2-prop-2-enoyloxybutyl) 2,2-dimethylpentanoate
CID 88562783
(4-hydroxy-2,3-dimethyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428957
(2,2-dimethyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 161076585
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate?
The IUPAC name of [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate (CID 161277316) is [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate.
What is the SMILES notation for [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate?
The canonical SMILES for [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate is C=CC(=O)OC(CC(C)(C)C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OC(CC(C)(C)C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OC(CC(C)(C)C)C(OC(=O)C=C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C.C=CC(=O)OCC(C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.C=CC(=O)OCC(C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.C=CC(=O)OCC(C(OC(=O)C=C)C(OC(=O)C=C)C(CC(C)(C)C)OC(=O)C=C)C(C)(C)C.
What is the InChIKey of [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate?
The InChIKey is VEPNZVPRONPGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H38O8.2C22H34O6.2C18H30O4/c1-11-19(27)31-16-17(26(8,9)10)23(33-21(29)13-3)24(34-22(30)14-4)18(15-25(5,6)7)32-20(28)12-2;1-11-19(27)31-17(15-25(5,6)7)23(33-21(29)13-3)24(34-22(30)14-4)18(16-26(8,9)10)32-20(28)12-2;1-10-17(23)26-14-15(22(7,8)9)20(28-19(25)12-3)16(13-21(4,5)6)27-18(24)11-2;1-10-17(23)26-15(13-21(4,5)6)20(28-19(25)12-3)16(14-22(7,8)9)27-18(24)11-2;1-9-15(19)21-12-13(18(6,7)8)14(11-17(3,4)5)22-16(20)10-2;1-9-15(19)21-13(11-17(3,4)5)14(12-18(6,7)8)22-16(20)10-2/h2*11-14,17-18,23-24H,1-4,15-16H2,5-10H3;2*10-12,15-16,20H,1-3,13-14H2,4-9H3;2*9-10,13-14H,1-2,11-12H2,3-8H3.
What are the key properties of [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate?
[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate has a molecular weight of 2367.05 g/mol, XLogP of 24.49, 60 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate is sourced from PubChem (CID 161277316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).