[5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

C24H36O5 — CID 20731215

IUPAC[5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1CC2CCOCC1COC(=O)C1C1CCCCC1
InChIInChI=1S/C24H36O5/c1-15(2)23(25)29-21-12-18-11-19(21)10-17(18)8-9-27-13-20-14-28-24(26)22(20)16-6-4-3-5-7-16/h16-22H,1,3-14H2,2H3
InChIKeyUOOMOEAIQJRLSD-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.30
Rot. Bonds8

About [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

[5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (PubChem CID 20731215) has the molecular formula C24H36O5 and a molecular weight of 404.55 g/mol. Its IUPAC name is [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
PubChem CID20731215
Molecular FormulaC24H36O5
Molecular Weight404.55 g/mol
Exact Mass404.26
IUPAC Name[5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1CC2CCOCC1COC(=O)C1C1CCCCC1
InChIInChI=1S/C24H36O5/c1-15(2)23(25)29-21-12-18-11-19(21)10-17(18)8-9-27-13-20-14-28-24(26)22(20)16-6-4-3-5-7-16/h16-22H,1,3-14H2,2H3
InChIKeyUOOMOEAIQJRLSD-UHFFFAOYSA-N
XLogP4.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-propyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58963993
[5-[2-(5-oxooxolan-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 22709211
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776
[(7S)-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl] 2-methylprop-2-enoate
CID 126487493
[5-(iodomethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163926721
[5-(2-ethyl-2-hydroxybutyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163675074
(10-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 22168867
[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 59616257
[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 129190181
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[5-[(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 87413060
(5,5-dimethyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 122493559

Frequently Asked Questions

What is the IUPAC name of [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (CID 20731215) is [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1CC2CCOCC1COC(=O)C1C1CCCCC1.
What is the InChIKey of [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The InChIKey is UOOMOEAIQJRLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O5/c1-15(2)23(25)29-21-12-18-11-19(21)10-17(18)8-9-27-13-20-14-28-24(26)22(20)16-6-4-3-5-7-16/h16-22H,1,3-14H2,2H3.
What are the key properties of [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
[5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate has a molecular weight of 404.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(4-cyclohexyl-5-oxooxolan-3-yl)methoxy]ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20731215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).