(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene

C14H18O2S — CID 134243944

IUPAC(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)S(=O)(=O)C(/C=C\C)=C/C=C
InChIInChI=1S/C14H18O2S/c1-5-9-12-13(8-4)17(15,16)14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+
InChIKeyHYLQELWWXZJREO-DILUHCKKSA-N
MW250.36 g/mol
LogP3.69
Rot. Bonds6

About (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene

(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene (PubChem CID 134243944) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene
PubChem CID134243944
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)S(=O)(=O)C(/C=C\C)=C/C=C
InChIInChI=1S/C14H18O2S/c1-5-9-12-13(8-4)17(15,16)14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+
InChIKeyHYLQELWWXZJREO-DILUHCKKSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylocta-1,3,5,7-tetraene
CID 146621151
N-methylhepta-1,3,5-triene-4-sulfonamide
CID 123396879
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-trihydroxy-λ4-sulfane
CID 172576373
ethane;methyl (3E,5Z)-octa-1,3,5,7-tetraene-4-sulfonate
CID 145077139
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472808
(3E,5Z)-3-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylocta-1,3,5,7-tetraene
CID 138646292
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(2E)-2-[1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfonyl-3-oxoindol-2-ylidene]-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylindol-3-one
CID 166909825
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
CID 155183718
ethane;(3E,5Z)-4-[(E)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfonylethenyl]octa-1,3,5,7-tetraene
CID 142133860

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene (CID 134243944) is (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene is C=C/C=C\C(=C/C)S(=O)(=O)C(/C=C\C)=C/C=C.
What is the InChIKey of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene?
The InChIKey is HYLQELWWXZJREO-DILUHCKKSA-N. The full InChI is InChI=1S/C14H18O2S/c1-5-9-12-13(8-4)17(15,16)14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+.
What are the key properties of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene?
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene has a molecular weight of 250.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene is sourced from PubChem (CID 134243944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).