(6E)-2,6-dibenzylidenecyclohexan-1-one

C20H18O — CID 1240877

IUPAC(6E)-2,6-dibenzylidenecyclohexan-1-one
SMILESO=C1C(=Cc2ccccc2)CCC/C1=C\c1ccccc1
InChIInChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15?
InChIKeyCTKKGXDAWIAYSA-KRKQTQCISA-N
MW274.36 g/mol
LogP4.91
Rot. Bonds2

About (6E)-2,6-dibenzylidenecyclohexan-1-one

(6E)-2,6-dibenzylidenecyclohexan-1-one (PubChem CID 1240877) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is (6E)-2,6-dibenzylidenecyclohexan-1-one.

Molecular Properties

Compound Name(6E)-2,6-dibenzylidenecyclohexan-1-one
PubChem CID1240877
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name(6E)-2,6-dibenzylidenecyclohexan-1-one
SMILESO=C1C(=Cc2ccccc2)CCC/C1=C\c1ccccc1
InChIInChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15?
InChIKeyCTKKGXDAWIAYSA-KRKQTQCISA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6E)-2,6-dibenzylidenecyclohexan-1-one?
The IUPAC name of (6E)-2,6-dibenzylidenecyclohexan-1-one (CID 1240877) is (6E)-2,6-dibenzylidenecyclohexan-1-one.
What is the SMILES notation for (6E)-2,6-dibenzylidenecyclohexan-1-one?
The canonical SMILES for (6E)-2,6-dibenzylidenecyclohexan-1-one is O=C1C(=Cc2ccccc2)CCC/C1=C\c1ccccc1.
What is the InChIKey of (6E)-2,6-dibenzylidenecyclohexan-1-one?
The InChIKey is CTKKGXDAWIAYSA-KRKQTQCISA-N. The full InChI is InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15?.
What are the key properties of (6E)-2,6-dibenzylidenecyclohexan-1-one?
(6E)-2,6-dibenzylidenecyclohexan-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dibenzylidenecyclohexan-1-one is sourced from PubChem (CID 1240877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).