methane;(2E,4Z,6E)-octa-2,4,6-triene

C9H16 — CID 176713447

IUPACmethane;(2E,4Z,6E)-octa-2,4,6-triene
SMILESC.C/C=C/C=C\C=C\C
InChIInChI=1S/C8H12.CH4/c1-3-5-7-8-6-4-2;/h3-8H,1-2H3;1H4/b5-3+,6-4+,8-7-;
InChIKeyYUYQQYLXCZQXQC-RWDZOSCESA-N
MW124.23 g/mol
LogP3.33
Rot. Bonds2

About methane;(2E,4Z,6E)-octa-2,4,6-triene

methane;(2E,4Z,6E)-octa-2,4,6-triene (PubChem CID 176713447) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is methane;(2E,4Z,6E)-octa-2,4,6-triene.

Molecular Properties

Compound Namemethane;(2E,4Z,6E)-octa-2,4,6-triene
PubChem CID176713447
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namemethane;(2E,4Z,6E)-octa-2,4,6-triene
SMILESC.C/C=C/C=C\C=C\C
InChIInChI=1S/C8H12.CH4/c1-3-5-7-8-6-4-2;/h3-8H,1-2H3;1H4/b5-3+,6-4+,8-7-;
InChIKeyYUYQQYLXCZQXQC-RWDZOSCESA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
(4E)-hexa-2,4-diene
CID 22435466
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
potassium;hexa-2,4-diene;hydride
CID 174550949
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
[(1E,3Z,5Z)-hepta-1,3,5-trienyl]phosphane
CID 143594699
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201

Frequently Asked Questions

What is the IUPAC name of methane;(2E,4Z,6E)-octa-2,4,6-triene?
The IUPAC name of methane;(2E,4Z,6E)-octa-2,4,6-triene (CID 176713447) is methane;(2E,4Z,6E)-octa-2,4,6-triene.
What is the SMILES notation for methane;(2E,4Z,6E)-octa-2,4,6-triene?
The canonical SMILES for methane;(2E,4Z,6E)-octa-2,4,6-triene is C.C/C=C/C=C\C=C\C.
What is the InChIKey of methane;(2E,4Z,6E)-octa-2,4,6-triene?
The InChIKey is YUYQQYLXCZQXQC-RWDZOSCESA-N. The full InChI is InChI=1S/C8H12.CH4/c1-3-5-7-8-6-4-2;/h3-8H,1-2H3;1H4/b5-3+,6-4+,8-7-;.
What are the key properties of methane;(2E,4Z,6E)-octa-2,4,6-triene?
methane;(2E,4Z,6E)-octa-2,4,6-triene has a molecular weight of 124.23 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2E,4Z,6E)-octa-2,4,6-triene is sourced from PubChem (CID 176713447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).