(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

C147H238O14 — CID 158728245

IUPAC(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
SMILESC=C(C)C(=O)OC1(C(C)CCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C(CCC)CCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C(C)CCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCCC)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/2C22H36O2.3C21H34O2.2C20H32O2/c1-6-8-17(9-7-2)22(24-20(23)15(3)4)18-10-16-11-19(22)14-21(5,12-16)13-18;1-5-6-7-8-9-10-22(24-20(23)16(2)3)18-11-17-12-19(22)15-21(4,13-17)14-18;1-6-7-8-15(4)21(23-19(22)14(2)3)17-9-16-10-18(21)13-20(5,11-16)12-17;1-5-6-7-8-9-21(23-19(22)15(2)3)17-10-16-11-18(21)14-20(4,12-16)13-17;1-4-6-7-8-9-10-21(23-19(22)5-2)17-11-16-12-18(21)15-20(3,13-16)14-17;1-5-7-8-14(3)20(22-18(21)6-2)16-9-15-10-17(20)13-19(4,11-15)12-16;1-4-6-7-8-9-20(22-18(21)5-2)16-10-15-11-17(20)14-19(3,12-15)13-16/h16-19H,3,6-14H2,1-2,4-5H3;17-19H,2,5-15H2,1,3-4H3;15-18H,2,6-13H2,1,3-5H3;16-18H,2,5-14H2,1,3-4H3;5,16-18H,2,4,6-15H2,1,3H3;6,14-17H,2,5,7-13H2,1,3-4H3;5,15-17H,2,4,6-14H2,1,3H3
InChIKeyIKTWBXOWGWPCGW-UHFFFAOYSA-N
MW2229.51 g/mol
LogP39.20
Rot. Bonds49

About (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

(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 (PubChem CID 158728245) has the molecular formula C147H238O14 and a molecular weight of 2229.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158728245
Molecular FormulaC147H238O14
Molecular Weight2229.51 g/mol
Exact Mass2227.79
IUPAC Name(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
SMILESC=C(C)C(=O)OC1(C(C)CCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C(CCC)CCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C(C)CCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCCC)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/2C22H36O2.3C21H34O2.2C20H32O2/c1-6-8-17(9-7-2)22(24-20(23)15(3)4)18-10-16-11-19(22)14-21(5,12-16)13-18;1-5-6-7-8-9-10-22(24-20(23)16(2)3)18-11-17-12-19(22)15-21(4,13-17)14-18;1-6-7-8-15(4)21(23-19(22)14(2)3)17-9-16-10-18(21)13-20(5,11-16)12-17;1-5-6-7-8-9-21(23-19(22)15(2)3)17-10-16-11-18(21)14-20(4,12-16)13-17;1-4-6-7-8-9-10-21(23-19(22)5-2)17-11-16-12-18(21)15-20(3,13-16)14-17;1-5-7-8-14(3)20(22-18(21)6-2)16-9-15-10-17(20)13-19(4,11-15)12-16;1-4-6-7-8-9-20(22-18(21)5-2)16-10-15-11-17(20)14-19(3,12-15)13-16/h16-19H,3,6-14H2,1-2,4-5H3;17-19H,2,5-15H2,1,3-4H3;15-18H,2,6-13H2,1,3-5H3;16-18H,2,5-14H2,1,3-4H3;5,16-18H,2,4,6-15H2,1,3H3;6,14-17H,2,5,7-13H2,1,3-4H3;5,15-17H,2,4,6-14H2,1,3H3
InChIKeyIKTWBXOWGWPCGW-UHFFFAOYSA-N
XLogP39.20
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds49
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002229.51
LogP ≤ 539.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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-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 with MolForge

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Launch Full Analysis

Related Compounds

[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate
CID 161171797
(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
(5-methyl-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734607
[2-[(2-hexyl-5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylbutanoate
CID 59326376
[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
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
(2-butan-2-yl-5-methoxy-2-adamantyl) 2-methylprop-2-enoate
CID 58734760
(5-methoxy-2-propyl-2-adamantyl) prop-2-enoate
CID 58734530
[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-butyl-5-methyl-2-adamantyl) 2,2-dimethylbutanoate
CID 67473185
2-(1-adamantyl)hexan-2-yl 2-methylprop-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;tert-butyl 2-methylprop-2-enoate;tert-butyl prop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;2-methylbutan-2-yl 2-methylprop-2-enoate;2-methylbutan-2-yl prop-2-enoate;2-methylhexan-2-yl 2-methylprop-2-enoate;2-methylhexan-2-yl prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 159004291
1-adamantyl 2-methylprop-2-enoate;1-adamantyl prop-2-enoate;(4-pentyl-1-bicyclo[2.2.2]octanyl) 2-methylprop-2-enoate;(4-pentyl-1-bicyclo[2.2.2]octanyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 161228255

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)C(=O)OC1(C(C)CCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C(CCC)CCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C(C)CCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCCC)C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of (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?
The InChIKey is IKTWBXOWGWPCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H36O2.3C21H34O2.2C20H32O2/c1-6-8-17(9-7-2)22(24-20(23)15(3)4)18-10-16-11-19(22)14-21(5,12-16)13-18;1-5-6-7-8-9-10-22(24-20(23)16(2)3)18-11-17-12-19(22)15-21(4,13-17)14-18;1-6-7-8-15(4)21(23-19(22)14(2)3)17-9-16-10-18(21)13-20(5,11-16)12-17;1-5-6-7-8-9-21(23-19(22)15(2)3)17-10-16-11-18(21)14-20(4,12-16)13-17;1-4-6-7-8-9-10-21(23-19(22)5-2)17-11-16-12-18(21)15-20(3,13-16)14-17;1-5-7-8-14(3)20(22-18(21)6-2)16-9-15-10-17(20)13-19(4,11-15)12-16;1-4-6-7-8-9-20(22-18(21)5-2)16-10-15-11-17(20)14-19(3,12-15)13-16/h16-19H,3,6-14H2,1-2,4-5H3;17-19H,2,5-15H2,1,3-4H3;15-18H,2,6-13H2,1,3-5H3;16-18H,2,5-14H2,1,3-4H3;5,16-18H,2,4,6-15H2,1,3H3;6,14-17H,2,5,7-13H2,1,3-4H3;5,15-17H,2,4,6-14H2,1,3H3.
What are the key properties of (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?
(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 has a molecular weight of 2229.51 g/mol, XLogP of 39.20, 49 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158728245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).