deca-1,3-diyne

C10H14 — CID 560912

IUPACdeca-1,3-diyne
SMILESC#CC#CCCCCCC
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4,6,8-10H2,2H3
InChIKeyTWNSNUSORGVGBI-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.59
Rot. Bonds4

About deca-1,3-diyne

deca-1,3-diyne (PubChem CID 560912) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is deca-1,3-diyne.

Molecular Properties

Compound Namedeca-1,3-diyne
PubChem CID560912
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namedeca-1,3-diyne
SMILESC#CC#CCCCCCC
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4,6,8-10H2,2H3
InChIKeyTWNSNUSORGVGBI-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-1,3-diyne?
The IUPAC name of deca-1,3-diyne (CID 560912) is deca-1,3-diyne.
What is the SMILES notation for deca-1,3-diyne?
The canonical SMILES for deca-1,3-diyne is C#CC#CCCCCCC.
What is the InChIKey of deca-1,3-diyne?
The InChIKey is TWNSNUSORGVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4,6,8-10H2,2H3.
What are the key properties of deca-1,3-diyne?
deca-1,3-diyne has a molecular weight of 134.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,3-diyne is sourced from PubChem (CID 560912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).