(3E,5E,7E)-nona-1,3,5,7-tetraene

C9H12 — CID 15570287

IUPAC(3E,5E,7E)-nona-1,3,5,7-tetraene
SMILESC=C/C=C/C=C/C=C/C
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-9H,1H2,2H3/b6-4+,7-5+,9-8+
InChIKeyHRRORGQIZRYJFZ-SFYXYOTASA-N
MW120.19 g/mol
LogP2.86
Rot. Bonds3

About (3E,5E,7E)-nona-1,3,5,7-tetraene

(3E,5E,7E)-nona-1,3,5,7-tetraene (PubChem CID 15570287) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (3E,5E,7E)-nona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E,7E)-nona-1,3,5,7-tetraene
PubChem CID15570287
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(3E,5E,7E)-nona-1,3,5,7-tetraene
SMILESC=C/C=C/C=C/C=C/C
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-9H,1H2,2H3/b6-4+,7-5+,9-8+
InChIKeyHRRORGQIZRYJFZ-SFYXYOTASA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.86
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
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
(Z)-but-2-enedioic acid;hepta-1,3,5-triene
CID 162332753

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-nona-1,3,5,7-tetraene?
The IUPAC name of (3E,5E,7E)-nona-1,3,5,7-tetraene (CID 15570287) is (3E,5E,7E)-nona-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E,7E)-nona-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E,7E)-nona-1,3,5,7-tetraene is C=C/C=C/C=C/C=C/C.
What is the InChIKey of (3E,5E,7E)-nona-1,3,5,7-tetraene?
The InChIKey is HRRORGQIZRYJFZ-SFYXYOTASA-N. The full InChI is InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-9H,1H2,2H3/b6-4+,7-5+,9-8+.
What are the key properties of (3E,5E,7E)-nona-1,3,5,7-tetraene?
(3E,5E,7E)-nona-1,3,5,7-tetraene has a molecular weight of 120.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-nona-1,3,5,7-tetraene is sourced from PubChem (CID 15570287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).