ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate

C18H22O2 — CID 102511638

IUPACethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate
SMILESCCOC(=O)/C=C/C(=C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3/b14-13+
InChIKeyHJFUIPYNDOBRGM-BUHFOSPRSA-N
MW270.37 g/mol
LogP4.52
Rot. Bonds4

About ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate

ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate (PubChem CID 102511638) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate
PubChem CID102511638
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Nameethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate
SMILESCCOC(=O)/C=C/C(=C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3/b14-13+
InChIKeyHJFUIPYNDOBRGM-BUHFOSPRSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.52
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

diethyl (2E,6E,10E)-4,9-bis[(E)-3-ethoxy-3-oxoprop-1-enyl]-5,8-diphenyldodeca-2,4,6,8,10-pentaenedioate
CID 138972057
diethyl (E,4Z)-4-(1-phenylethylidene)pent-2-enedioate
CID 164511312
ethyl 3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate
CID 75146663
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate
CID 76832044
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E,4E)-4-[2,2-dimethyl-5-(2-phenylethyl)oxasilolan-3-ylidene]-4-phenylbut-2-enoate
CID 102582147
ethyl (Z)-4-(N-methylanilino)-4-oxobut-2-enoate
CID 6152798
ethyl 3-(4-oxo-1-phenylcyclohexyl)prop-2-enoate
CID 54379708
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
ethyl (Z)-4-[benzoyl(benzyl)amino]-4-oxobut-2-enoate
CID 134832400

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate?
The IUPAC name of ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate (CID 102511638) is ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate is CCOC(=O)/C=C/C(=C1CCCCC1)c1ccccc1.
What is the InChIKey of ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate?
The InChIKey is HJFUIPYNDOBRGM-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3/b14-13+.
What are the key properties of ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate?
ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-cyclohexylidene-4-phenylbut-2-enoate is sourced from PubChem (CID 102511638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).