(5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene

C23H32 — CID 145428913

IUPAC(5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene
SMILESC=C(C)c1ccc(C2=CCC(C)(CC)/C(=C\CC)C2(C)C)cc1
InChIInChI=1S/C23H32/c1-8-10-21-22(5,6)20(15-16-23(21,7)9-2)19-13-11-18(12-14-19)17(3)4/h10-15H,3,8-9,16H2,1-2,4-7H3/b21-10-
InChIKeyFRMRKUDEEYTXQL-FBHDLOMBSA-N
MW308.51 g/mol
LogP7.29
Rot. Bonds4

About (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene

(5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene (PubChem CID 145428913) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene.

Molecular Properties

Compound Name(5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene
PubChem CID145428913
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name(5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene
SMILESC=C(C)c1ccc(C2=CCC(C)(CC)/C(=C\CC)C2(C)C)cc1
InChIInChI=1S/C23H32/c1-8-10-21-22(5,6)20(15-16-23(21,7)9-2)19-13-11-18(12-14-19)17(3)4/h10-15H,3,8-9,16H2,1-2,4-7H3/b21-10-
InChIKeyFRMRKUDEEYTXQL-FBHDLOMBSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene?
The IUPAC name of (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene (CID 145428913) is (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene.
What is the SMILES notation for (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene?
The canonical SMILES for (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene is C=C(C)c1ccc(C2=CCC(C)(CC)/C(=C\CC)C2(C)C)cc1.
What is the InChIKey of (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene?
The InChIKey is FRMRKUDEEYTXQL-FBHDLOMBSA-N. The full InChI is InChI=1S/C23H32/c1-8-10-21-22(5,6)20(15-16-23(21,7)9-2)19-13-11-18(12-14-19)17(3)4/h10-15H,3,8-9,16H2,1-2,4-7H3/b21-10-.
What are the key properties of (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene?
(5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene has a molecular weight of 308.51 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-ethyl-4,6,6-trimethyl-1-(4-prop-1-en-2-ylphenyl)-5-propylidenecyclohexene is sourced from PubChem (CID 145428913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).