dec-9-en-1,3-diyne

C10H12 — CID 56837277

IUPACdec-9-en-1,3-diyne
SMILESC#CC#CCCCCC=C
InChIInChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h1,4H,2,6,8-10H2
InChIKeyZFYQMYQLRUKRHY-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.37
Rot. Bonds4

About dec-9-en-1,3-diyne

dec-9-en-1,3-diyne (PubChem CID 56837277) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is dec-9-en-1,3-diyne.

Molecular Properties

Compound Namedec-9-en-1,3-diyne
PubChem CID56837277
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Namedec-9-en-1,3-diyne
SMILESC#CC#CCCCCC=C
InChIInChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h1,4H,2,6,8-10H2
InChIKeyZFYQMYQLRUKRHY-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dec-9-en-1,3-diyne?
The IUPAC name of dec-9-en-1,3-diyne (CID 56837277) is dec-9-en-1,3-diyne.
What is the SMILES notation for dec-9-en-1,3-diyne?
The canonical SMILES for dec-9-en-1,3-diyne is C#CC#CCCCCC=C.
What is the InChIKey of dec-9-en-1,3-diyne?
The InChIKey is ZFYQMYQLRUKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h1,4H,2,6,8-10H2.
What are the key properties of dec-9-en-1,3-diyne?
dec-9-en-1,3-diyne has a molecular weight of 132.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-en-1,3-diyne is sourced from PubChem (CID 56837277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).