ethane;ethene;(3E)-hexa-1,3,5-triene

C14H30 — CID 91058254

IUPACethane;ethene;(3E)-hexa-1,3,5-triene
SMILESC=C.C=C/C=C/C=C.CC.CC.CC
InChIInChI=1S/C6H8.3C2H6.C2H4/c1-3-5-6-4-2;4*1-2/h3-6H,1-2H2;3*1-2H3;1-2H2/b6-5+;;;;
InChIKeyZOIRUKMNKSEDFL-WPYDVODASA-N
MW198.39 g/mol
LogP5.80
Rot. Bonds2

About ethane;ethene;(3E)-hexa-1,3,5-triene

ethane;ethene;(3E)-hexa-1,3,5-triene (PubChem CID 91058254) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is ethane;ethene;(3E)-hexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;ethene;(3E)-hexa-1,3,5-triene
PubChem CID91058254
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Nameethane;ethene;(3E)-hexa-1,3,5-triene
SMILESC=C.C=C/C=C/C=C.CC.CC.CC
InChIInChI=1S/C6H8.3C2H6.C2H4/c1-3-5-6-4-2;4*1-2/h3-6H,1-2H2;3*1-2H3;1-2H2/b6-5+;;;;
InChIKeyZOIRUKMNKSEDFL-WPYDVODASA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
CID 143978437
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
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
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)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
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 ethane;ethene;(3E)-hexa-1,3,5-triene?
The IUPAC name of ethane;ethene;(3E)-hexa-1,3,5-triene (CID 91058254) is ethane;ethene;(3E)-hexa-1,3,5-triene.
What is the SMILES notation for ethane;ethene;(3E)-hexa-1,3,5-triene?
The canonical SMILES for ethane;ethene;(3E)-hexa-1,3,5-triene is C=C.C=C/C=C/C=C.CC.CC.CC.
What is the InChIKey of ethane;ethene;(3E)-hexa-1,3,5-triene?
The InChIKey is ZOIRUKMNKSEDFL-WPYDVODASA-N. The full InChI is InChI=1S/C6H8.3C2H6.C2H4/c1-3-5-6-4-2;4*1-2/h3-6H,1-2H2;3*1-2H3;1-2H2/b6-5+;;;;.
What are the key properties of ethane;ethene;(3E)-hexa-1,3,5-triene?
ethane;ethene;(3E)-hexa-1,3,5-triene has a molecular weight of 198.39 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3E)-hexa-1,3,5-triene is sourced from PubChem (CID 91058254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).