deca-2,8-diyne

C10H14 — CID 20066

IUPACdeca-2,8-diyne
SMILESCC#CCCCCC#CC
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3
InChIKeyKORPQWPYEOSKGV-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.59
Rot. Bonds3

About deca-2,8-diyne

deca-2,8-diyne (PubChem CID 20066) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is deca-2,8-diyne.

Molecular Properties

Compound Namedeca-2,8-diyne
PubChem CID20066
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namedeca-2,8-diyne
SMILESCC#CCCCCC#CC
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3
InChIKeyKORPQWPYEOSKGV-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.59
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 deca-2,8-diyne?
The IUPAC name of deca-2,8-diyne (CID 20066) is deca-2,8-diyne.
What is the SMILES notation for deca-2,8-diyne?
The canonical SMILES for deca-2,8-diyne is CC#CCCCCC#CC.
What is the InChIKey of deca-2,8-diyne?
The InChIKey is KORPQWPYEOSKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3.
What are the key properties of deca-2,8-diyne?
deca-2,8-diyne has a molecular weight of 134.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-2,8-diyne is sourced from PubChem (CID 20066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).