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

C76H112O11 — CID 160859633

IUPAC2-(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
SMILESC=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCCOC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(CC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O3.C16H24O2.2C15H22O2.C14H20O2/c1-11(2)15(17)18-3-4-19-16-8-12-5-13(9-16)7-14(6-12)10-16;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h12-14H,1,3-10H2,2H3;11-14H,2,4-9H2,1,3H3;10-13H,1,4-8H2,2-3H3;3,10-13H,1,4-9H2,2H3;3,9-12H,1,4-8H2,2H3
InChIKeySKHSLWHPDDGOPS-UHFFFAOYSA-N
MW1201.72 g/mol
LogP16.37
Rot. Bonds15

About 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

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 (PubChem CID 160859633) has the molecular formula C76H112O11 and a molecular weight of 1201.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160859633
Molecular FormulaC76H112O11
Molecular Weight1201.72 g/mol
Exact Mass1200.82
IUPAC Name2-(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
SMILESC=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCCOC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(CC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O3.C16H24O2.2C15H22O2.C14H20O2/c1-11(2)15(17)18-3-4-19-16-8-12-5-13(9-16)7-14(6-12)10-16;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h12-14H,1,3-10H2,2H3;11-14H,2,4-9H2,1,3H3;10-13H,1,4-8H2,2-3H3;3,10-13H,1,4-9H2,2H3;3,9-12H,1,4-8H2,2H3
InChIKeySKHSLWHPDDGOPS-UHFFFAOYSA-N
XLogP16.37
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.72
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-(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 with MolForge

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Related Compounds

2-(1-adamantyl)hexan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)hexan-2-yl prop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;bis((2-methyl-2-adamantyl) 2-methylprop-2-enoate);(2-methyl-2-adamantyl) prop-2-enoate;2-(3-tricyclo[3.3.1.03,7]nonanyl)propan-2-yl 2-methylprop-2-enoate
CID 157080967
[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-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 122216436
[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
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate
CID 162080101
(5-methoxy-2-methyl-2-adamantyl) prop-2-enoate
CID 58844074
(2-ethyl-2-adamantyl) 2-(2-methylprop-2-enoyloxy)butanoate
CID 69439306
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate
CID 160783432
[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
4-O-(1-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 90440465
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate
CID 162118755

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCCOC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(CC)C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is SKHSLWHPDDGOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3.C16H24O2.2C15H22O2.C14H20O2/c1-11(2)15(17)18-3-4-19-16-8-12-5-13(9-16)7-14(6-12)10-16;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h12-14H,1,3-10H2,2H3;11-14H,2,4-9H2,1,3H3;10-13H,1,4-8H2,2-3H3;3,10-13H,1,4-9H2,2H3;3,9-12H,1,4-8H2,2H3.
What are the key properties of 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?
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 has a molecular weight of 1201.72 g/mol, XLogP of 16.37, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160859633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).