(3Z,5E)-nona-3,5-dien-1-yne

C9H12 — CID 100974514

IUPAC(3Z,5E)-nona-3,5-dien-1-yne
SMILESC#C/C=C\C=C\CCC
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1,5,7-9H,4,6H2,2H3/b7-5-,9-8+
InChIKeyHEMBMBXKQOCYQY-SUHGFZJFSA-N
MW120.19 g/mol
LogP2.53
Rot. Bonds3

About (3Z,5E)-nona-3,5-dien-1-yne

(3Z,5E)-nona-3,5-dien-1-yne (PubChem CID 100974514) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (3Z,5E)-nona-3,5-dien-1-yne.

Molecular Properties

Compound Name(3Z,5E)-nona-3,5-dien-1-yne
PubChem CID100974514
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(3Z,5E)-nona-3,5-dien-1-yne
SMILESC#C/C=C\C=C\CCC
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1,5,7-9H,4,6H2,2H3/b7-5-,9-8+
InChIKeyHEMBMBXKQOCYQY-SUHGFZJFSA-N
XLogP2.53
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 ≤ 52.53
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

tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
octa-2,4-dien-1-amine
CID 3847298
non-3-en-1-yne
CID 556159
1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne
CID 142322103
(E)-hex-3-en-1-yne
CID 5367402
(4E)-octa-2,4-dienal
CID 175603405
(6E)-octadeca-4,6-diene
CID 173243345
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(4Z,6Z)-undeca-4,6-dien-1-yne
CID 11321032
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
(E)-hex-2-enal
CID 158800846
(3Z)-hepta-1,3-diene
CID 6427773

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-nona-3,5-dien-1-yne?
The IUPAC name of (3Z,5E)-nona-3,5-dien-1-yne (CID 100974514) is (3Z,5E)-nona-3,5-dien-1-yne.
What is the SMILES notation for (3Z,5E)-nona-3,5-dien-1-yne?
The canonical SMILES for (3Z,5E)-nona-3,5-dien-1-yne is C#C/C=C\C=C\CCC.
What is the InChIKey of (3Z,5E)-nona-3,5-dien-1-yne?
The InChIKey is HEMBMBXKQOCYQY-SUHGFZJFSA-N. The full InChI is InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1,5,7-9H,4,6H2,2H3/b7-5-,9-8+.
What are the key properties of (3Z,5E)-nona-3,5-dien-1-yne?
(3Z,5E)-nona-3,5-dien-1-yne has a molecular weight of 120.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-nona-3,5-dien-1-yne is sourced from PubChem (CID 100974514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).