(E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one

C19H24O — CID 46910418

IUPAC(E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one
SMILESCC(C)(C)C1CC=C(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H24O/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-9-15-7-5-4-6-8-15/h4-10,14,17H,11-13H2,1-3H3/b14-9+
InChIKeyPSIWXCOBYDKHGC-NTEUORMPSA-N
MW268.40 g/mol
LogP5.04
Rot. Bonds3

About (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 46910418) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one
PubChem CID46910418
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one
SMILESCC(C)(C)C1CC=C(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H24O/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-9-15-7-5-4-6-8-15/h4-10,14,17H,11-13H2,1-3H3/b14-9+
InChIKeyPSIWXCOBYDKHGC-NTEUORMPSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butylcyclohexen-1-yl)-1-phenylbut-2-en-1-one
CID 122202804
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl (E)-3-phenylprop-2-enoate
CID 20838599
[(4-tert-butylcyclohexylidene)amino] (E)-3-phenylprop-2-enoate
CID 680309
(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
methyl (E)-3-(4-tert-butylcyclohexen-1-yl)prop-2-enoate
CID 13449435
2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 43341261
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
methyl 2-anilino-2-(4-tert-butylcyclohexen-1-yl)acetate
CID 11001110
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-phenyl-6-(4-propanoylcyclohex-3-en-1-yl)hepta-1,6-dien-3-one
CID 91526577
CID 171375076
CID 171375076

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one (CID 46910418) is (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one is CC(C)(C)C1CC=C(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is PSIWXCOBYDKHGC-NTEUORMPSA-N. The full InChI is InChI=1S/C19H24O/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-9-15-7-5-4-6-8-15/h4-10,14,17H,11-13H2,1-3H3/b14-9+.
What are the key properties of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 268.40 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylcyclohexen-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 46910418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).