1,5-Decadiyne

C10H14 — CID 104660

IUPACdeca-1,5-diyne
SMILESCCCCC#CCCC#C
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3
InChIKeyIWIDILFDSIIOSB-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.40
Rot. Bonds3

About 1,5-Decadiyne

1,5-Decadiyne (PubChem CID 104660) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is deca-1,5-diyne.

Molecular Properties

Compound Name1,5-Decadiyne
PubChem CID104660
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namedeca-1,5-diyne
SMILESCCCCC#CCCC#C
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3
InChIKeyIWIDILFDSIIOSB-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-Decadiyne?
The IUPAC name of 1,5-Decadiyne (CID 104660) is deca-1,5-diyne.
What is the SMILES notation for 1,5-Decadiyne?
The canonical SMILES for 1,5-Decadiyne is CCCCC#CCCC#C.
What is the InChIKey of 1,5-Decadiyne?
The InChIKey is IWIDILFDSIIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3.
What are the key properties of 1,5-Decadiyne?
1,5-Decadiyne has a molecular weight of 134.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-Decadiyne is sourced from PubChem (CID 104660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).