(2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one

C18H18O3 — CID 12004980

IUPAC(2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one
SMILESCCC1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1
InChIInChI=1S/C18H18O3/c1-2-13-9-14(11-16-5-3-7-20-16)18(19)15(10-13)12-17-6-4-8-21-17/h3-8,11-13H,2,9-10H2,1H3/b14-11-,15-12+
InChIKeyZNEVIDKDZYOZIM-KMUHKHSISA-N
MW282.34 g/mol
LogP4.73
Rot. Bonds3

About (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one

(2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one (PubChem CID 12004980) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one
PubChem CID12004980
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one
SMILESCCC1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1
InChIInChI=1S/C18H18O3/c1-2-13-9-14(11-16-5-3-7-20-16)18(19)15(10-13)12-17-6-4-8-21-17/h3-8,11-13H,2,9-10H2,1H3/b14-11-,15-12+
InChIKeyZNEVIDKDZYOZIM-KMUHKHSISA-N
XLogP4.73
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one?
The IUPAC name of (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one (CID 12004980) is (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one.
What is the SMILES notation for (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one?
The canonical SMILES for (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one is CCC1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1.
What is the InChIKey of (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one?
The InChIKey is ZNEVIDKDZYOZIM-KMUHKHSISA-N. The full InChI is InChI=1S/C18H18O3/c1-2-13-9-14(11-16-5-3-7-20-16)18(19)15(10-13)12-17-6-4-8-21-17/h3-8,11-13H,2,9-10H2,1H3/b14-11-,15-12+.
What are the key properties of (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one?
(2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one has a molecular weight of 282.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-4-ethyl-2,6-bis(furan-2-ylmethylidene)cyclohexan-1-one is sourced from PubChem (CID 12004980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).