(5Z)-5-ethenylnona-1,5,8-trien-3-yne

C11H12 — CID 146167076

IUPAC(5Z)-5-ethenylnona-1,5,8-trien-3-yne
SMILESC=CC#C/C(C=C)=C\CC=C
InChIInChI=1S/C11H12/c1-4-7-9-11(6-3)10-8-5-2/h4-6,9H,1-3,7H2/b11-9-
InChIKeyDLSCSBSTRWJSFP-LUAWRHEFSA-N
MW144.22 g/mol
LogP2.86
Rot. Bonds3

About (5Z)-5-ethenylnona-1,5,8-trien-3-yne

(5Z)-5-ethenylnona-1,5,8-trien-3-yne (PubChem CID 146167076) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is (5Z)-5-ethenylnona-1,5,8-trien-3-yne.

Molecular Properties

Compound Name(5Z)-5-ethenylnona-1,5,8-trien-3-yne
PubChem CID146167076
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name(5Z)-5-ethenylnona-1,5,8-trien-3-yne
SMILESC=CC#C/C(C=C)=C\CC=C
InChIInChI=1S/C11H12/c1-4-7-9-11(6-3)10-8-5-2/h4-6,9H,1-3,7H2/b11-9-
InChIKeyDLSCSBSTRWJSFP-LUAWRHEFSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.86
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethylhexadiene
CID 6365525
Cosmene
CID 5368451
Aethusin
CID 5281130
7-Methylene-1,3,5-cycloheptatriene
CID 136351
p-Xylylene
CID 136327
2,5-Dimethyl-1,3,5-hexatriene
CID 5463210
(3E,5Z)-2,6-dimethylocta-1,3,5,7-tetraene
CID 12304092
(E)-2,4-Hexadiene, 2,3-dimethyl-
CID 5368953
2,6-Dimethyl-1,3,5,7-Octatetraene
CID 562418
(E,E)-1,3,5-Heptatriene, 5-methyl-
CID 5463334
Cycloocta-1,3-dien-6-yne
CID 5463539
Trideca-2,8,10-trien-4,6-diyne
CID 327393

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethenylnona-1,5,8-trien-3-yne?
The IUPAC name of (5Z)-5-ethenylnona-1,5,8-trien-3-yne (CID 146167076) is (5Z)-5-ethenylnona-1,5,8-trien-3-yne.
What is the SMILES notation for (5Z)-5-ethenylnona-1,5,8-trien-3-yne?
The canonical SMILES for (5Z)-5-ethenylnona-1,5,8-trien-3-yne is C=CC#C/C(C=C)=C\CC=C.
What is the InChIKey of (5Z)-5-ethenylnona-1,5,8-trien-3-yne?
The InChIKey is DLSCSBSTRWJSFP-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H12/c1-4-7-9-11(6-3)10-8-5-2/h4-6,9H,1-3,7H2/b11-9-.
What are the key properties of (5Z)-5-ethenylnona-1,5,8-trien-3-yne?
(5Z)-5-ethenylnona-1,5,8-trien-3-yne has a molecular weight of 144.22 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 (5Z)-5-ethenylnona-1,5,8-trien-3-yne is sourced from PubChem (CID 146167076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).