deca-1,9-diyne

C10H13+ — CID 123438720

IUPACdeca-1,9-diyne
SMILES[C+]#CCCCCCCC#C
InChIInChI=1S/C10H13/c1-3-5-7-9-10-8-6-4-2/h1H,5-10H2/q+1
InChIKeyAJHLYNQKNCDVHD-UHFFFAOYSA-N
MW133.21 g/mol
LogP2.55
Rot. Bonds5

About deca-1,9-diyne

deca-1,9-diyne (PubChem CID 123438720) has the molecular formula C10H13+ and a molecular weight of 133.21 g/mol. Its IUPAC name is deca-1,9-diyne.

Molecular Properties

Compound Namedeca-1,9-diyne
PubChem CID123438720
Molecular FormulaC10H13+
Molecular Weight133.21 g/mol
Exact Mass133.10
IUPAC Namedeca-1,9-diyne
SMILES[C+]#CCCCCCCC#C
InChIInChI=1S/C10H13/c1-3-5-7-9-10-8-6-4-2/h1H,5-10H2/q+1
InChIKeyAJHLYNQKNCDVHD-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deca-1,9-diyne?
The IUPAC name of deca-1,9-diyne (CID 123438720) is deca-1,9-diyne.
What is the SMILES notation for deca-1,9-diyne?
The canonical SMILES for deca-1,9-diyne is [C+]#CCCCCCCC#C.
What is the InChIKey of deca-1,9-diyne?
The InChIKey is AJHLYNQKNCDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13/c1-3-5-7-9-10-8-6-4-2/h1H,5-10H2/q+1.
What are the key properties of deca-1,9-diyne?
deca-1,9-diyne has a molecular weight of 133.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-diyne is sourced from PubChem (CID 123438720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).