2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate

C19H24O4 — CID 23579806

IUPAC2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1(C(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C19H24O4/c1-15(2)18(21)22-13-14-23-19(11-7-4-8-12-19)17(20)16-9-5-3-6-10-16/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3
InChIKeyHNCAKXOXEYIERP-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.71
Rot. Bonds7

About 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate

2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate (PubChem CID 23579806) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate
PubChem CID23579806
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1(C(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C19H24O4/c1-15(2)18(21)22-13-14-23-19(11-7-4-8-12-19)17(20)16-9-5-3-6-10-16/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3
InChIKeyHNCAKXOXEYIERP-UHFFFAOYSA-N
XLogP3.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate;(4-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;(4-benzoylphenyl) 2-methylprop-2-enoate;[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl] 2-methylprop-2-enoate;bromide
CID 157297694
2-[1-hydroxy-4-[hydroxy(phenyl)methylidene]-5-oxocyclohex-2-en-1-yl]oxyethyl 2-methylprop-2-enoate
CID 174762199
2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
CID 22892321
(1-acetylcyclohexyl) 2-benzylprop-2-enoate
CID 90844042
CID 175978198
CID 175978198
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate (CID 23579806) is 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1(C(=O)c2ccccc2)CCCCC1.
What is the InChIKey of 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is HNCAKXOXEYIERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-15(2)18(21)22-13-14-23-19(11-7-4-8-12-19)17(20)16-9-5-3-6-10-16/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3.
What are the key properties of 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate?
2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 316.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylcyclohexyl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23579806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).