8-methylnon-8-en-1,3,5-triyne

C10H8 — CID 58773331

IUPAC8-methylnon-8-en-1,3,5-triyne
SMILESC#CC#CC#CCC(=C)C
InChIInChI=1S/C10H8/c1-4-5-6-7-8-9-10(2)3/h1H,2,9H2,3H3
InChIKeyRRNOUMSJDGQNOX-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.59
Rot. Bonds1

About 8-methylnon-8-en-1,3,5-triyne

8-methylnon-8-en-1,3,5-triyne (PubChem CID 58773331) has the molecular formula C10H8 and a molecular weight of 128.17 g/mol. Its IUPAC name is 8-methylnon-8-en-1,3,5-triyne.

Molecular Properties

Compound Name8-methylnon-8-en-1,3,5-triyne
PubChem CID58773331
Molecular FormulaC10H8
Molecular Weight128.17 g/mol
Exact Mass128.06
IUPAC Name8-methylnon-8-en-1,3,5-triyne
SMILESC#CC#CC#CCC(=C)C
InChIInChI=1S/C10H8/c1-4-5-6-7-8-9-10(2)3/h1H,2,9H2,3H3
InChIKeyRRNOUMSJDGQNOX-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methylnon-8-en-1,3,5-triyne?
The IUPAC name of 8-methylnon-8-en-1,3,5-triyne (CID 58773331) is 8-methylnon-8-en-1,3,5-triyne.
What is the SMILES notation for 8-methylnon-8-en-1,3,5-triyne?
The canonical SMILES for 8-methylnon-8-en-1,3,5-triyne is C#CC#CC#CCC(=C)C.
What is the InChIKey of 8-methylnon-8-en-1,3,5-triyne?
The InChIKey is RRNOUMSJDGQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8/c1-4-5-6-7-8-9-10(2)3/h1H,2,9H2,3H3.
What are the key properties of 8-methylnon-8-en-1,3,5-triyne?
8-methylnon-8-en-1,3,5-triyne has a molecular weight of 128.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-8-en-1,3,5-triyne is sourced from PubChem (CID 58773331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).