6,7-dimethylidenedodeca-4,8-diyne

C14H18 — CID 11106068

IUPAC6,7-dimethylidenedodeca-4,8-diyne
SMILESC=C(C#CCCC)C(=C)C#CCCC
InChIInChI=1S/C14H18/c1-5-7-9-11-13(3)14(4)12-10-8-6-2/h3-8H2,1-2H3
InChIKeyMTLUJYPGKKZFMP-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.71
Rot. Bonds3

About 6,7-dimethylidenedodeca-4,8-diyne

6,7-dimethylidenedodeca-4,8-diyne (PubChem CID 11106068) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 6,7-dimethylidenedodeca-4,8-diyne.

Molecular Properties

Compound Name6,7-dimethylidenedodeca-4,8-diyne
PubChem CID11106068
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name6,7-dimethylidenedodeca-4,8-diyne
SMILESC=C(C#CCCC)C(=C)C#CCCC
InChIInChI=1S/C14H18/c1-5-7-9-11-13(3)14(4)12-10-8-6-2/h3-8H2,1-2H3
InChIKeyMTLUJYPGKKZFMP-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylidenedodeca-4,8-diyne?
The IUPAC name of 6,7-dimethylidenedodeca-4,8-diyne (CID 11106068) is 6,7-dimethylidenedodeca-4,8-diyne.
What is the SMILES notation for 6,7-dimethylidenedodeca-4,8-diyne?
The canonical SMILES for 6,7-dimethylidenedodeca-4,8-diyne is C=C(C#CCCC)C(=C)C#CCCC.
What is the InChIKey of 6,7-dimethylidenedodeca-4,8-diyne?
The InChIKey is MTLUJYPGKKZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-7-9-11-13(3)14(4)12-10-8-6-2/h3-8H2,1-2H3.
What are the key properties of 6,7-dimethylidenedodeca-4,8-diyne?
6,7-dimethylidenedodeca-4,8-diyne has a molecular weight of 186.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylidenedodeca-4,8-diyne is sourced from PubChem (CID 11106068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).