ethane;(3Z,5Z)-hepta-1,3,5-triene

C9H16 — CID 123557011

IUPACethane;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CC
InChIInChI=1S/C7H10.C2H6/c1-3-5-7-6-4-2;1-2/h3-7H,1H2,2H3;1-2H3/b6-4-,7-5-;
InChIKeyGZXOUGWJELOHTF-ISOJEIHBSA-N
MW124.23 g/mol
LogP3.33
Rot. Bonds2

About ethane;(3Z,5Z)-hepta-1,3,5-triene

ethane;(3Z,5Z)-hepta-1,3,5-triene (PubChem CID 123557011) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is ethane;(3Z,5Z)-hepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-hepta-1,3,5-triene
PubChem CID123557011
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Nameethane;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CC
InChIInChI=1S/C7H10.C2H6/c1-3-5-7-6-4-2;1-2/h3-7H,1H2,2H3;1-2H3/b6-4-,7-5-;
InChIKeyGZXOUGWJELOHTF-ISOJEIHBSA-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

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
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
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
(3E)-penta-1,3-diene
CID 71777643
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
CID 145276340
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-hepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-hepta-1,3,5-triene (CID 123557011) is ethane;(3Z,5Z)-hepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-hepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-hepta-1,3,5-triene is C=C/C=C\C=C/C.CC.
What is the InChIKey of ethane;(3Z,5Z)-hepta-1,3,5-triene?
The InChIKey is GZXOUGWJELOHTF-ISOJEIHBSA-N. The full InChI is InChI=1S/C7H10.C2H6/c1-3-5-7-6-4-2;1-2/h3-7H,1H2,2H3;1-2H3/b6-4-,7-5-;.
What are the key properties of ethane;(3Z,5Z)-hepta-1,3,5-triene?
ethane;(3Z,5Z)-hepta-1,3,5-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 ethane;(3Z,5Z)-hepta-1,3,5-triene is sourced from PubChem (CID 123557011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).