4,9-dimethylidenecyclodeca-1,6-diyne

C12H12 — CID 14566409

IUPAC4,9-dimethylidenecyclodeca-1,6-diyne
SMILESC=C1CC#CCC(=C)CC#CC1
InChIInChI=1S/C12H12/c1-11-7-3-5-9-12(2)10-6-4-8-11/h1-2,7-10H2
InChIKeyRIYARVNFGOKXID-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.68
Rot. Bonds

About 4,9-dimethylidenecyclodeca-1,6-diyne

4,9-dimethylidenecyclodeca-1,6-diyne (PubChem CID 14566409) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4,9-dimethylidenecyclodeca-1,6-diyne.

Molecular Properties

Compound Name4,9-dimethylidenecyclodeca-1,6-diyne
PubChem CID14566409
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name4,9-dimethylidenecyclodeca-1,6-diyne
SMILESC=C1CC#CCC(=C)CC#CC1
InChIInChI=1S/C12H12/c1-11-7-3-5-9-12(2)10-6-4-8-11/h1-2,7-10H2
InChIKeyRIYARVNFGOKXID-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethylidenecyclodeca-1,6-diyne?
The IUPAC name of 4,9-dimethylidenecyclodeca-1,6-diyne (CID 14566409) is 4,9-dimethylidenecyclodeca-1,6-diyne.
What is the SMILES notation for 4,9-dimethylidenecyclodeca-1,6-diyne?
The canonical SMILES for 4,9-dimethylidenecyclodeca-1,6-diyne is C=C1CC#CCC(=C)CC#CC1.
What is the InChIKey of 4,9-dimethylidenecyclodeca-1,6-diyne?
The InChIKey is RIYARVNFGOKXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-11-7-3-5-9-12(2)10-6-4-8-11/h1-2,7-10H2.
What are the key properties of 4,9-dimethylidenecyclodeca-1,6-diyne?
4,9-dimethylidenecyclodeca-1,6-diyne has a molecular weight of 156.23 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethylidenecyclodeca-1,6-diyne is sourced from PubChem (CID 14566409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).