[2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate

C23H28O4 — CID 159031599

IUPAC[2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1(C2CC3CC2CC3C)C2CC3C=C3C3(C2)CC31
InChIInChI=1S/C23H28O4/c1-3-20(24)26-11-21(25)27-23(18-7-13-5-14(18)4-12(13)2)16-6-15-8-17(15)22(9-16)10-19(22)23/h3,8,12-16,18-19H,1,4-7,9-11H2,2H3
InChIKeyJUYNMKPFSKCFKI-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.67
Rot. Bonds5

About [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate

[2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate (PubChem CID 159031599) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate
PubChem CID159031599
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name[2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1(C2CC3CC2CC3C)C2CC3C=C3C3(C2)CC31
InChIInChI=1S/C23H28O4/c1-3-20(24)26-11-21(25)27-23(18-7-13-5-14(18)4-12(13)2)16-6-15-8-17(15)22(9-16)10-19(22)23/h3,8,12-16,18-19H,1,4-7,9-11H2,2H3
InChIKeyJUYNMKPFSKCFKI-UHFFFAOYSA-N
XLogP3.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate with MolForge

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Related Compounds

[2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate
CID 160798017
[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-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-cyclopentyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate
CID 161063255
[2-[[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-(3-methylcyclohexyl)-2-adamantyl] 5-(2-methylprop-2-enoyloxy)pentanoate;[2-[[2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[3-[[2-(4-methylcyclohexyl)-2-adamantyl]oxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 162168856
[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate
CID 68570388
[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-(3-methyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460095
[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460074
[2-[[4-(hydroxymethoxy)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]-2-oxoethyl] prop-2-enoate
CID 58013593
[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 123601324
[2-[(3,5-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate
CID 91509195
[2-[(3-formyloxy-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] prop-2-enoate
CID 88872558

Frequently Asked Questions

What is the IUPAC name of [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate (CID 159031599) is [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)OC1(C2CC3CC2CC3C)C2CC3C=C3C3(C2)CC31.
What is the InChIKey of [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate?
The InChIKey is JUYNMKPFSKCFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-3-20(24)26-11-21(25)27-23(18-7-13-5-14(18)4-12(13)2)16-6-15-8-17(15)22(9-16)10-19(22)23/h3,8,12-16,18-19H,1,4-7,9-11H2,2H3.
What are the key properties of [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate?
[2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate has a molecular weight of 368.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[7-(5-methyl-2-bicyclo[2.2.1]heptanyl)-7-tetracyclo[4.3.1.01,8.02,4]dec-2-enyl]oxy]-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 159031599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).