(E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one

C15H16O — CID 44592920

IUPAC(E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one
SMILESO=C(/C=C/C1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C15H16O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2-3,5,7-9,11-12H,1,4,6,10H2/b12-11+
InChIKeyDZWUBJQDQFKBCH-VAWYXSNFSA-N
MW212.29 g/mol
LogP3.66
Rot. Bonds3

About (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one

(E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one (PubChem CID 44592920) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one
PubChem CID44592920
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one
SMILESO=C(/C=C/C1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C15H16O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2-3,5,7-9,11-12H,1,4,6,10H2/b12-11+
InChIKeyDZWUBJQDQFKBCH-VAWYXSNFSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one (CID 44592920) is (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one is O=C(/C=C/C1=CCCC=C1)C1=CC=CCC1.
What is the InChIKey of (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one?
The InChIKey is DZWUBJQDQFKBCH-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H16O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2-3,5,7-9,11-12H,1,4,6,10H2/b12-11+.
What are the key properties of (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one?
(E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylprop-2-en-1-one is sourced from PubChem (CID 44592920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).