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

C17H16O3 — CID 6368659

IUPAC(2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one
SMILESCC1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1
InChIInChI=1S/C17H16O3/c1-12-8-13(10-15-4-2-6-19-15)17(18)14(9-12)11-16-5-3-7-20-16/h2-7,10-12H,8-9H2,1H3/b13-10-,14-11+
InChIKeyKKRSTVAIVYMNBE-FXYWYECCSA-N
MW268.31 g/mol
LogP4.34
Rot. Bonds2

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

(2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one (PubChem CID 6368659) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one
PubChem CID6368659
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one
SMILESCC1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1
InChIInChI=1S/C17H16O3/c1-12-8-13(10-15-4-2-6-19-15)17(18)14(9-12)11-16-5-3-7-20-16/h2-7,10-12H,8-9H2,1H3/b13-10-,14-11+
InChIKeyKKRSTVAIVYMNBE-FXYWYECCSA-N
XLogP4.34
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.34
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)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one?
The IUPAC name of (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one (CID 6368659) is (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one.
What is the SMILES notation for (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one?
The canonical SMILES for (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one is CC1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1.
What is the InChIKey of (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one?
The InChIKey is KKRSTVAIVYMNBE-FXYWYECCSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-8-13(10-15-4-2-6-19-15)17(18)14(9-12)11-16-5-3-7-20-16/h2-7,10-12H,8-9H2,1H3/b13-10-,14-11+.
What are the key properties of (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one?
(2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one has a molecular weight of 268.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-2,6-bis(furan-2-ylmethylidene)-4-methylcyclohexan-1-one is sourced from PubChem (CID 6368659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).