5-methylidenenona-1,3-diyne

C10H12 — CID 19908675

IUPAC5-methylidenenona-1,3-diyne
SMILESC#CC#CC(=C)CCCC
InChIInChI=1S/C10H12/c1-4-6-8-10(3)9-7-5-2/h1H,3,5,7,9H2,2H3
InChIKeyZWUWELOLXANIQC-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.37
Rot. Bonds3

About 5-methylidenenona-1,3-diyne

5-methylidenenona-1,3-diyne (PubChem CID 19908675) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 5-methylidenenona-1,3-diyne.

Molecular Properties

Compound Name5-methylidenenona-1,3-diyne
PubChem CID19908675
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name5-methylidenenona-1,3-diyne
SMILESC#CC#CC(=C)CCCC
InChIInChI=1S/C10H12/c1-4-6-8-10(3)9-7-5-2/h1H,3,5,7,9H2,2H3
InChIKeyZWUWELOLXANIQC-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.37
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 5-methylidenenona-1,3-diyne?
The IUPAC name of 5-methylidenenona-1,3-diyne (CID 19908675) is 5-methylidenenona-1,3-diyne.
What is the SMILES notation for 5-methylidenenona-1,3-diyne?
The canonical SMILES for 5-methylidenenona-1,3-diyne is C#CC#CC(=C)CCCC.
What is the InChIKey of 5-methylidenenona-1,3-diyne?
The InChIKey is ZWUWELOLXANIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-4-6-8-10(3)9-7-5-2/h1H,3,5,7,9H2,2H3.
What are the key properties of 5-methylidenenona-1,3-diyne?
5-methylidenenona-1,3-diyne has a molecular weight of 132.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenenona-1,3-diyne is sourced from PubChem (CID 19908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).