1,4-diethynyl-6,7-didehydronaphthalene

C14H6 — CID 154350101

IUPAC1,4-diethynyl-6,7-didehydronaphthalene
SMILESC#Cc1ccc(C#C)c2cc#ccc12
InChIInChI=1S/C14H6/c1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14/h1-2,7-10H
InChIKeyCZALSNYIFRXIIZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.40
Rot. Bonds

About 1,4-diethynyl-6,7-didehydronaphthalene

1,4-diethynyl-6,7-didehydronaphthalene (PubChem CID 154350101) has the molecular formula C14H6 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1,4-diethynyl-6,7-didehydronaphthalene.

Molecular Properties

Compound Name1,4-diethynyl-6,7-didehydronaphthalene
PubChem CID154350101
Molecular FormulaC14H6
Molecular Weight174.20 g/mol
Exact Mass174.05
IUPAC Name1,4-diethynyl-6,7-didehydronaphthalene
SMILESC#Cc1ccc(C#C)c2cc#ccc12
InChIInChI=1S/C14H6/c1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14/h1-2,7-10H
InChIKeyCZALSNYIFRXIIZ-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethynyl-6,7-didehydronaphthalene?
The IUPAC name of 1,4-diethynyl-6,7-didehydronaphthalene (CID 154350101) is 1,4-diethynyl-6,7-didehydronaphthalene.
What is the SMILES notation for 1,4-diethynyl-6,7-didehydronaphthalene?
The canonical SMILES for 1,4-diethynyl-6,7-didehydronaphthalene is C#Cc1ccc(C#C)c2cc#ccc12.
What is the InChIKey of 1,4-diethynyl-6,7-didehydronaphthalene?
The InChIKey is CZALSNYIFRXIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6/c1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14/h1-2,7-10H.
What are the key properties of 1,4-diethynyl-6,7-didehydronaphthalene?
1,4-diethynyl-6,7-didehydronaphthalene has a molecular weight of 174.20 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethynyl-6,7-didehydronaphthalene is sourced from PubChem (CID 154350101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).