(5E,7E)-nona-1,5,7-trien-3-yne

C9H10 — CID 641686

IUPAC(5E,7E)-nona-1,5,7-trien-3-yne
SMILESC=CC#C/C=C/C=C/C
InChIInChI=1S/C9H10/c1-3-5-7-9-8-6-4-2/h3-4,6,8-9H,1H2,2H3/b6-4+,9-8+
InChIKeyXGLAHUDOUGNIRP-ICNYKPIKSA-N
MW118.18 g/mol
LogP2.31
Rot. Bonds1

About (5E,7E)-nona-1,5,7-trien-3-yne

(5E,7E)-nona-1,5,7-trien-3-yne (PubChem CID 641686) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is (5E,7E)-nona-1,5,7-trien-3-yne.

Molecular Properties

Compound Name(5E,7E)-nona-1,5,7-trien-3-yne
PubChem CID641686
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name(5E,7E)-nona-1,5,7-trien-3-yne
SMILESC=CC#C/C=C/C=C/C
InChIInChI=1S/C9H10/c1-3-5-7-9-8-6-4-2/h3-4,6,8-9H,1H2,2H3/b6-4+,9-8+
InChIKeyXGLAHUDOUGNIRP-ICNYKPIKSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-hepta-1,5-dien-3-yne
CID 142841775
(3Z)-octa-1,3,7-trien-5-yne
CID 102533659
(3E)-octa-1,3,7-trien-5-yne
CID 5369442
dodeca-2,4-dien-6,8,10-triyne
CID 163085735
(4E)-hexa-2,4-diene
CID 22435466
(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
CID 101414495
(5E,7E,11E,13E)-pentadeca-5,7,11,13-tetraen-9-ynal
CID 15081392
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
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
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

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-nona-1,5,7-trien-3-yne?
The IUPAC name of (5E,7E)-nona-1,5,7-trien-3-yne (CID 641686) is (5E,7E)-nona-1,5,7-trien-3-yne.
What is the SMILES notation for (5E,7E)-nona-1,5,7-trien-3-yne?
The canonical SMILES for (5E,7E)-nona-1,5,7-trien-3-yne is C=CC#C/C=C/C=C/C.
What is the InChIKey of (5E,7E)-nona-1,5,7-trien-3-yne?
The InChIKey is XGLAHUDOUGNIRP-ICNYKPIKSA-N. The full InChI is InChI=1S/C9H10/c1-3-5-7-9-8-6-4-2/h3-4,6,8-9H,1H2,2H3/b6-4+,9-8+.
What are the key properties of (5E,7E)-nona-1,5,7-trien-3-yne?
(5E,7E)-nona-1,5,7-trien-3-yne has a molecular weight of 118.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-nona-1,5,7-trien-3-yne is sourced from PubChem (CID 641686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).