(2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one

C16H16O2 — CID 138654533

IUPAC(2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1/oc(C2=CCCC=C2)cc(=O)/c1=C/C
InChIInChI=1S/C16H16O2/c1-3-8-15-13(4-2)14(17)11-16(18-15)12-9-6-5-7-10-12/h3-4,6,8-11H,1,5,7H2,2H3/b13-4-,15-8+
InChIKeyDUAUOMDEUWSMOX-RZNXWSPGSA-N
MW240.30 g/mol
LogP2.14
Rot. Bonds2

About (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one

(2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one (PubChem CID 138654533) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one.

Molecular Properties

Compound Name(2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one
PubChem CID138654533
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1/oc(C2=CCCC=C2)cc(=O)/c1=C/C
InChIInChI=1S/C16H16O2/c1-3-8-15-13(4-2)14(17)11-16(18-15)12-9-6-5-7-10-12/h3-4,6,8-11H,1,5,7H2,2H3/b13-4-,15-8+
InChIKeyDUAUOMDEUWSMOX-RZNXWSPGSA-N
XLogP2.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one?
The IUPAC name of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one (CID 138654533) is (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one.
What is the SMILES notation for (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one?
The canonical SMILES for (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one is C=C/C=c1/oc(C2=CCCC=C2)cc(=O)/c1=C/C.
What is the InChIKey of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one?
The InChIKey is DUAUOMDEUWSMOX-RZNXWSPGSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-8-15-13(4-2)14(17)11-16(18-15)12-9-6-5-7-10-12/h3-4,6,8-11H,1,5,7H2,2H3/b13-4-,15-8+.
What are the key properties of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one?
(2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one has a molecular weight of 240.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-6-cyclohexa-1,5-dien-1-yl-3-ethylidene-2-prop-2-enylidenepyran-4-one is sourced from PubChem (CID 138654533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).