hexa-1,2,3,4-tetraene

C6H6 — CID 11815814

IUPAChexa-1,2,3,4-tetraene
SMILESC=C=C=C=CC
InChIInChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3
InChIKeyJNUKOTUICJZAIB-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.66
Rot. Bonds

About hexa-1,2,3,4-tetraene

hexa-1,2,3,4-tetraene (PubChem CID 11815814) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is hexa-1,2,3,4-tetraene.

Molecular Properties

Compound Namehexa-1,2,3,4-tetraene
PubChem CID11815814
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Namehexa-1,2,3,4-tetraene
SMILESC=C=C=C=CC
InChIInChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3
InChIKeyJNUKOTUICJZAIB-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexa-1,2,3,4-tetraene?
The IUPAC name of hexa-1,2,3,4-tetraene (CID 11815814) is hexa-1,2,3,4-tetraene.
What is the SMILES notation for hexa-1,2,3,4-tetraene?
The canonical SMILES for hexa-1,2,3,4-tetraene is C=C=C=C=CC.
What is the InChIKey of hexa-1,2,3,4-tetraene?
The InChIKey is JNUKOTUICJZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3.
What are the key properties of hexa-1,2,3,4-tetraene?
hexa-1,2,3,4-tetraene has a molecular weight of 78.11 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,2,3,4-tetraene is sourced from PubChem (CID 11815814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).