[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

C124H212O24 — CID 159534250

IUPAC[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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OC1(CC)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)OCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C20H30O4.3C19H28O4.C18H26O4.C17H24O4.12CH4/c1-5-13(4)20(24-18(21)11-23-19(22)12(2)3)16-7-14-6-15(9-16)10-17(20)8-14;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;1-4-15(19)21-11-16(20)22-18(5-2)13-6-12-7-14(18)10-17(3,8-12)9-13;1-4-14(18)20-10-15(19)21-17(3)12-5-11-6-13(17)9-16(2,7-11)8-12;;;;;;;;;;;;/h13-17H,2,5-11H2,1,3-4H3;13-15H,1,5-11H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;5,12-16H,2,4,6-11H2,1,3H3;4,12-14H,1,5-11H2,2-3H3;4,11-13H,1,5-10H2,2-3H3;12*1H4
InChIKeyMDJRJQUZEAFDAL-UHFFFAOYSA-N
MW2087.04 g/mol
LogP28.43
Rot. Bonds31

About [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

[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 (PubChem CID 159534250) has the molecular formula C124H212O24 and a molecular weight of 2087.04 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159534250
Molecular FormulaC124H212O24
Molecular Weight2087.04 g/mol
Exact Mass2085.54
IUPAC Name[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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OC1(CC)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)OCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C20H30O4.3C19H28O4.C18H26O4.C17H24O4.12CH4/c1-5-13(4)20(24-18(21)11-23-19(22)12(2)3)16-7-14-6-15(9-16)10-17(20)8-14;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;1-4-15(19)21-11-16(20)22-18(5-2)13-6-12-7-14(18)10-17(3,8-12)9-13;1-4-14(18)20-10-15(19)21-17(3)12-5-11-6-13(17)9-16(2,7-11)8-12;;;;;;;;;;;;/h13-17H,2,5-11H2,1,3-4H3;13-15H,1,5-11H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;5,12-16H,2,4,6-11H2,1,3H3;4,12-14H,1,5-11H2,2-3H3;4,11-13H,1,5-10H2,2-3H3;12*1H4
InChIKeyMDJRJQUZEAFDAL-UHFFFAOYSA-N
XLogP28.43
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.04
LogP ≤ 528.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

[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
[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
[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
[1-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 58106035
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
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
(2,5-dimethyl-2-adamantyl) (E)-2-methyl-4-(2-methylprop-2-enoyloxy)pent-3-enoate
CID 173468048
[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate
CID 68570388
(2-ethyl-5-methyl-2-adamantyl) 2-(prop-2-enoylamino)acetate
CID 58186112
(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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC(=O)OC1(C(C)CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OC1(CC)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)OCC(=O)OC1(CC)C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of [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?
The InChIKey is MDJRJQUZEAFDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4.3C19H28O4.C18H26O4.C17H24O4.12CH4/c1-5-13(4)20(24-18(21)11-23-19(22)12(2)3)16-7-14-6-15(9-16)10-17(20)8-14;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;1-4-15(19)21-11-16(20)22-18(5-2)13-6-12-7-14(18)10-17(3,8-12)9-13;1-4-14(18)20-10-15(19)21-17(3)12-5-11-6-13(17)9-16(2,7-11)8-12;;;;;;;;;;;;/h13-17H,2,5-11H2,1,3-4H3;13-15H,1,5-11H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;5,12-16H,2,4,6-11H2,1,3H3;4,12-14H,1,5-11H2,2-3H3;4,11-13H,1,5-10H2,2-3H3;12*1H4.
What are the key properties of [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?
[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 has a molecular weight of 2087.04 g/mol, XLogP of 28.43, 31 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159534250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).