1,2,3,4-tetraethynylcyclobuta-1,3-diene

C12H4 — CID 15827042

IUPAC1,2,3,4-tetraethynylcyclobuta-1,3-diene
SMILESC#CC1=C(C#C)C(C#C)=C1C#C
InChIInChI=1S/C12H4/c1-5-9-10(6-2)12(8-4)11(9)7-3/h1-4H
InChIKeyHEUYILYXFVQGOW-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.13
Rot. Bonds

About 1,2,3,4-tetraethynylcyclobuta-1,3-diene

1,2,3,4-tetraethynylcyclobuta-1,3-diene (PubChem CID 15827042) has the molecular formula C12H4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,2,3,4-tetraethynylcyclobuta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetraethynylcyclobuta-1,3-diene
PubChem CID15827042
Molecular FormulaC12H4
Molecular Weight148.16 g/mol
Exact Mass148.03
IUPAC Name1,2,3,4-tetraethynylcyclobuta-1,3-diene
SMILESC#CC1=C(C#C)C(C#C)=C1C#C
InChIInChI=1S/C12H4/c1-5-9-10(6-2)12(8-4)11(9)7-3/h1-4H
InChIKeyHEUYILYXFVQGOW-UHFFFAOYSA-N
XLogP1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.13
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 1,2,3,4-tetraethynylcyclobuta-1,3-diene?
The IUPAC name of 1,2,3,4-tetraethynylcyclobuta-1,3-diene (CID 15827042) is 1,2,3,4-tetraethynylcyclobuta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetraethynylcyclobuta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetraethynylcyclobuta-1,3-diene is C#CC1=C(C#C)C(C#C)=C1C#C.
What is the InChIKey of 1,2,3,4-tetraethynylcyclobuta-1,3-diene?
The InChIKey is HEUYILYXFVQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4/c1-5-9-10(6-2)12(8-4)11(9)7-3/h1-4H.
What are the key properties of 1,2,3,4-tetraethynylcyclobuta-1,3-diene?
1,2,3,4-tetraethynylcyclobuta-1,3-diene has a molecular weight of 148.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethynylcyclobuta-1,3-diene is sourced from PubChem (CID 15827042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).