[2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate

C20H26O2 — CID 141175239

IUPAC[2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate
SMILESC=Cc1ccccc1C1CCCCC1(CC)OC(=O)C(=C)C
InChIInChI=1S/C20H26O2/c1-5-16-11-7-8-12-17(16)18-13-9-10-14-20(18,6-2)22-19(21)15(3)4/h5,7-8,11-12,18H,1,3,6,9-10,13-14H2,2,4H3
InChIKeyLKQZLRPJBMXFCE-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.26
Rot. Bonds5

About [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate

[2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate (PubChem CID 141175239) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate
PubChem CID141175239
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name[2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate
SMILESC=Cc1ccccc1C1CCCCC1(CC)OC(=O)C(=C)C
InChIInChI=1S/C20H26O2/c1-5-16-11-7-8-12-17(16)18-13-9-10-14-20(18,6-2)22-19(21)15(3)4/h5,7-8,11-12,18H,1,3,6,9-10,13-14H2,2,4H3
InChIKeyLKQZLRPJBMXFCE-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
CID 22119740
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate
CID 135073558
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
CID 58844002
1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene
CID 174901065
[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate
CID 142818937
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
[3-[2-(1-ethylcyclopentyl)oxy-2-oxoethyl]-9H-fluoren-9-yl] 2-methylprop-2-enoate
CID 130411134

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate (CID 141175239) is [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate is C=Cc1ccccc1C1CCCCC1(CC)OC(=O)C(=C)C.
What is the InChIKey of [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate?
The InChIKey is LKQZLRPJBMXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-5-16-11-7-8-12-17(16)18-13-9-10-14-20(18,6-2)22-19(21)15(3)4/h5,7-8,11-12,18H,1,3,6,9-10,13-14H2,2,4H3.
What are the key properties of [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate?
[2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate has a molecular weight of 298.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethenylphenyl)-1-ethylcyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141175239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).