non-2-en-4,7-diyne

C9H10 — CID 123643163

IUPACnon-2-en-4,7-diyne
SMILESCC#CCC#CC=CC
InChIInChI=1S/C9H10/c1-3-5-7-9-8-6-4-2/h3,5H,8H2,1-2H3
InChIKeyZWTFMAXLZDZBAO-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.98
Rot. Bonds

About non-2-en-4,7-diyne

non-2-en-4,7-diyne (PubChem CID 123643163) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is non-2-en-4,7-diyne.

Molecular Properties

Compound Namenon-2-en-4,7-diyne
PubChem CID123643163
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Namenon-2-en-4,7-diyne
SMILESCC#CCC#CC=CC
InChIInChI=1S/C9H10/c1-3-5-7-9-8-6-4-2/h3,5H,8H2,1-2H3
InChIKeyZWTFMAXLZDZBAO-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.98
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 non-2-en-4,7-diyne?
The IUPAC name of non-2-en-4,7-diyne (CID 123643163) is non-2-en-4,7-diyne.
What is the SMILES notation for non-2-en-4,7-diyne?
The canonical SMILES for non-2-en-4,7-diyne is CC#CCC#CC=CC.
What is the InChIKey of non-2-en-4,7-diyne?
The InChIKey is ZWTFMAXLZDZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-3-5-7-9-8-6-4-2/h3,5H,8H2,1-2H3.
What are the key properties of non-2-en-4,7-diyne?
non-2-en-4,7-diyne has a molecular weight of 118.18 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-en-4,7-diyne is sourced from PubChem (CID 123643163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).