(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one

C12H14O2Te — CID 134938517

IUPAC(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one
SMILESC=C/C(=C/C(C)=O)[Te]/C(C=C)=C/C(C)=O
InChIInChI=1S/C12H14O2Te/c1-5-11(7-9(3)13)15-12(6-2)8-10(4)14/h5-8H,1-2H2,3-4H3/b11-7-,12-8+
InChIKeyXIWUOHJQUGGUFD-NTLHZVPKSA-N
MW317.84 g/mol
LogP2.01
Rot. Bonds6

About (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one

(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one (PubChem CID 134938517) has the molecular formula C12H14O2Te and a molecular weight of 317.84 g/mol. Its IUPAC name is (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one
PubChem CID134938517
Molecular FormulaC12H14O2Te
Molecular Weight317.84 g/mol
Exact Mass320.01
IUPAC Name(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one
SMILESC=C/C(=C/C(C)=O)[Te]/C(C=C)=C/C(C)=O
InChIInChI=1S/C12H14O2Te/c1-5-11(7-9(3)13)15-12(6-2)8-10(4)14/h5-8H,1-2H2,3-4H3/b11-7-,12-8+
InChIKeyXIWUOHJQUGGUFD-NTLHZVPKSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one with MolForge

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Launch Full Analysis

Related Compounds

but-3-en-2-one;hydrochloride
CID 172746503
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;ethenoxyethene
CID 174835415
4-methoxyhexa-3,5-dien-2-one
CID 71435103
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710
[(Z)-4-oxopent-2-en-2-yl] hypoiodite
CID 89073208
but-3-en-2-one;2,2-dimethylpropane;methane
CID 157101199
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
but-3-en-2-one;methane;3-methylbut-3-en-2-one
CID 159829669
but-3-en-2-one;dimethyl-methylidene-oxo-λ6-sulfane
CID 159903560
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
acetic acid;carbonic acid;prop-1-ene
CID 87718804

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one?
The IUPAC name of (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one (CID 134938517) is (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one.
What is the SMILES notation for (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one?
The canonical SMILES for (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one is C=C/C(=C/C(C)=O)[Te]/C(C=C)=C/C(C)=O.
What is the InChIKey of (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one?
The InChIKey is XIWUOHJQUGGUFD-NTLHZVPKSA-N. The full InChI is InChI=1S/C12H14O2Te/c1-5-11(7-9(3)13)15-12(6-2)8-10(4)14/h5-8H,1-2H2,3-4H3/b11-7-,12-8+.
What are the key properties of (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one?
(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one has a molecular weight of 317.84 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one is sourced from PubChem (CID 134938517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).