8-methylnona-1,3,5-triyne

C10H10 — CID 59800854

IUPAC8-methylnona-1,3,5-triyne
SMILESC#CC#CC#CCC(C)C
InChIInChI=1S/C10H10/c1-4-5-6-7-8-9-10(2)3/h1,10H,9H2,2-3H3
InChIKeyQCGOIUJLEJTMBY-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.67
Rot. Bonds1

About 8-methylnona-1,3,5-triyne

8-methylnona-1,3,5-triyne (PubChem CID 59800854) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 8-methylnona-1,3,5-triyne.

Molecular Properties

Compound Name8-methylnona-1,3,5-triyne
PubChem CID59800854
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name8-methylnona-1,3,5-triyne
SMILESC#CC#CC#CCC(C)C
InChIInChI=1S/C10H10/c1-4-5-6-7-8-9-10(2)3/h1,10H,9H2,2-3H3
InChIKeyQCGOIUJLEJTMBY-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methylnona-1,3,5-triyne?
The IUPAC name of 8-methylnona-1,3,5-triyne (CID 59800854) is 8-methylnona-1,3,5-triyne.
What is the SMILES notation for 8-methylnona-1,3,5-triyne?
The canonical SMILES for 8-methylnona-1,3,5-triyne is C#CC#CC#CCC(C)C.
What is the InChIKey of 8-methylnona-1,3,5-triyne?
The InChIKey is QCGOIUJLEJTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-4-5-6-7-8-9-10(2)3/h1,10H,9H2,2-3H3.
What are the key properties of 8-methylnona-1,3,5-triyne?
8-methylnona-1,3,5-triyne has a molecular weight of 130.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnona-1,3,5-triyne is sourced from PubChem (CID 59800854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).