dec-5-en-3,7-diyne

C10H12 — CID 72728474

IUPACdec-5-en-3,7-diyne
SMILESCCC#CC=CC#CCC
InChIInChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-4H2,1-2H3
InChIKeyKTKOCHUTDJYUSL-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.37
Rot. Bonds

About dec-5-en-3,7-diyne

dec-5-en-3,7-diyne (PubChem CID 72728474) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is dec-5-en-3,7-diyne.

Molecular Properties

Compound Namedec-5-en-3,7-diyne
PubChem CID72728474
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Namedec-5-en-3,7-diyne
SMILESCCC#CC=CC#CCC
InChIInChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-4H2,1-2H3
InChIKeyKTKOCHUTDJYUSL-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 dec-5-en-3,7-diyne?
The IUPAC name of dec-5-en-3,7-diyne (CID 72728474) is dec-5-en-3,7-diyne.
What is the SMILES notation for dec-5-en-3,7-diyne?
The canonical SMILES for dec-5-en-3,7-diyne is CCC#CC=CC#CCC.
What is the InChIKey of dec-5-en-3,7-diyne?
The InChIKey is KTKOCHUTDJYUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-4H2,1-2H3.
What are the key properties of dec-5-en-3,7-diyne?
dec-5-en-3,7-diyne has a molecular weight of 132.21 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-en-3,7-diyne is sourced from PubChem (CID 72728474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).