[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate

C163H264O32 — CID 157468001

IUPAC[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate
SMILESC.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC(=O)OC1(C(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(CCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCCC(=O)OC1(C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=CC(=O)OCC(=O)OC1(C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCCC(=O)OC1(CCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCCCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/4C20H30O4.3C19H28O4.C17H24O4.9CH4/c1-12(2)18(22)23-11-17(21)24-20(13(3)4)15-6-14-7-16(20)10-19(5,8-14)9-15;1-5-6-20(24-17(21)12-23-18(22)13(2)3)15-7-14-8-16(20)11-19(4,9-14)10-15;1-4-17(21)23-8-6-7-18(22)24-20(5-2)15-9-14-10-16(20)13-19(3,11-14)12-15;1-4-7-20(24-18(22)6-8-23-17(21)5-2)15-9-14-10-16(20)13-19(3,11-14)12-15;1-12(2)17(21)22-6-5-16(20)23-19(4)14-7-13-8-15(19)11-18(3,9-13)10-14;1-5-19(23-16(20)11-22-17(21)12(2)3)14-6-13-7-15(19)10-18(4,8-13)9-14;1-4-12(3)19(23-18(21)11-22-17(20)5-2)15-7-13-6-14(9-15)10-16(19)8-13;1-4-14(18)20-10-15(19)21-17(3)12-5-11-6-13(17)9-16(2,7-11)8-12;;;;;;;;;/h13-16H,1,6-11H2,2-5H3;14-16H,2,5-12H2,1,3-4H3;4,14-16H,1,5-13H2,2-3H3;5,14-16H,2,4,6-13H2,1,3H3;13-15H,1,5-11H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;5,12-16H,2,4,6-11H2,1,3H3;4,11-13H,1,5-10H2,2-3H3;9*1H4
InChIKeyBURWBLIAAZQRJB-UHFFFAOYSA-N
MW2735.87 g/mol
LogP35.37
Rot. Bonds45

About [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate

[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate (PubChem CID 157468001) has the molecular formula C163H264O32 and a molecular weight of 2735.87 g/mol. Its IUPAC name is [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate
PubChem CID157468001
Molecular FormulaC163H264O32
Molecular Weight2735.87 g/mol
Exact Mass2733.90
IUPAC Name[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate
SMILESC.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC(=O)OC1(C(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(CCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCCC(=O)OC1(C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=CC(=O)OCC(=O)OC1(C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCCC(=O)OC1(CCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCCCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/4C20H30O4.3C19H28O4.C17H24O4.9CH4/c1-12(2)18(22)23-11-17(21)24-20(13(3)4)15-6-14-7-16(20)10-19(5,8-14)9-15;1-5-6-20(24-17(21)12-23-18(22)13(2)3)15-7-14-8-16(20)11-19(4,9-14)10-15;1-4-17(21)23-8-6-7-18(22)24-20(5-2)15-9-14-10-16(20)13-19(3,11-14)12-15;1-4-7-20(24-18(22)6-8-23-17(21)5-2)15-9-14-10-16(20)13-19(3,11-14)12-15;1-12(2)17(21)22-6-5-16(20)23-19(4)14-7-13-8-15(19)11-18(3,9-13)10-14;1-5-19(23-16(20)11-22-17(21)12(2)3)14-6-13-7-15(19)10-18(4,8-13)9-14;1-4-12(3)19(23-18(21)11-22-17(20)5-2)15-7-13-6-14(9-15)10-16(19)8-13;1-4-14(18)20-10-15(19)21-17(3)12-5-11-6-13(17)9-16(2,7-11)8-12;;;;;;;;;/h13-16H,1,6-11H2,2-5H3;14-16H,2,5-12H2,1,3-4H3;4,14-16H,1,5-13H2,2-3H3;5,14-16H,2,4,6-13H2,1,3H3;13-15H,1,5-11H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;5,12-16H,2,4,6-11H2,1,3H3;4,11-13H,1,5-10H2,2-3H3;9*1H4
InChIKeyBURWBLIAAZQRJB-UHFFFAOYSA-N
XLogP35.37
TPSA420.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds45
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.87
LogP ≤ 535.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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 [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;methane
CID 159534250
[2-[[2-(2-methylpropyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(2-methylpropyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate
CID 91269774
[2-(4,4-dimethylcyclohexyl)-5-methyl-2-adamantyl] prop-2-enoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate
CID 157376495
(5-methyl-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734607
(2-heptan-4-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-heptyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-heptyl-5-methyl-2-adamantyl) prop-2-enoate;(2-hexan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexan-2-yl-5-methyl-2-adamantyl) prop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate
CID 158728245
[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylbutanoate
CID 59326423
hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate
CID 162080101
(2-butyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylbutanoate;(2-propyl-2-adamantyl) 2-methylbutanoate
CID 157391393
[1-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 58106035
[2-[(2-hexyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylbutanoate
CID 59326376
2-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate
CID 160859633
(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(5-methylheptan-2-yl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(5-methylheptan-2-yl)-2-adamantyl] prop-2-enoate;(5-methyl-2-octan-2-yl-2-adamantyl) prop-2-enoate;(5-methyl-2-octyl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-octyl-2-adamantyl) prop-2-enoate
CID 159765216

Frequently Asked Questions

What is the IUPAC name of [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
The IUPAC name of [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate (CID 157468001) is [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
The canonical SMILES for [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate is C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC(=O)OC1(C(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(CCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCCC(=O)OC1(C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=CC(=O)OCC(=O)OC1(C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCCC(=O)OC1(CCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCCCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
The InChIKey is BURWBLIAAZQRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H30O4.3C19H28O4.C17H24O4.9CH4/c1-12(2)18(22)23-11-17(21)24-20(13(3)4)15-6-14-7-16(20)10-19(5,8-14)9-15;1-5-6-20(24-17(21)12-23-18(22)13(2)3)15-7-14-8-16(20)11-19(4,9-14)10-15;1-4-17(21)23-8-6-7-18(22)24-20(5-2)15-9-14-10-16(20)13-19(3,11-14)12-15;1-4-7-20(24-18(22)6-8-23-17(21)5-2)15-9-14-10-16(20)13-19(3,11-14)12-15;1-12(2)17(21)22-6-5-16(20)23-19(4)14-7-13-8-15(19)11-18(3,9-13)10-14;1-5-19(23-16(20)11-22-17(21)12(2)3)14-6-13-7-15(19)10-18(4,8-13)9-14;1-4-12(3)19(23-18(21)11-22-17(20)5-2)15-7-13-6-14(9-15)10-16(19)8-13;1-4-14(18)20-10-15(19)21-17(3)12-5-11-6-13(17)9-16(2,7-11)8-12;;;;;;;;;/h13-16H,1,6-11H2,2-5H3;14-16H,2,5-12H2,1,3-4H3;4,14-16H,1,5-13H2,2-3H3;5,14-16H,2,4,6-13H2,1,3H3;13-15H,1,5-11H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;5,12-16H,2,4,6-11H2,1,3H3;4,11-13H,1,5-10H2,2-3H3;9*1H4.
What are the key properties of [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
[2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate has a molecular weight of 2735.87 g/mol, XLogP of 35.37, 45 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-butan-2-yl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2,5-dimethyl-2-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[3-[(2,5-dimethyl-2-adamantyl)oxy]-3-oxopropyl] 2-methylprop-2-enoate;[2-[(2-ethyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-5-methyl-2-adamantyl) 4-prop-2-enoyloxybutanoate;methane;[2-[(5-methyl-2-propan-2-yl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-methyl-2-propyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5-methyl-2-propyl-2-adamantyl) 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 157468001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).