hepta-1,2,3,5-tetraene

C7H8 — CID 91025831

IUPAChepta-1,2,3,5-tetraene
SMILESC=C=C=CC=CC
InChIInChI=1S/C7H8/c1-3-5-7-6-4-2/h4,6-7H,1H2,2H3
InChIKeyUOPUHHNVRUFVMP-UHFFFAOYSA-N
MW92.14 g/mol
LogP2.06
Rot. Bonds1

About hepta-1,2,3,5-tetraene

hepta-1,2,3,5-tetraene (PubChem CID 91025831) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is hepta-1,2,3,5-tetraene.

Molecular Properties

Compound Namehepta-1,2,3,5-tetraene
PubChem CID91025831
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Namehepta-1,2,3,5-tetraene
SMILESC=C=C=CC=CC
InChIInChI=1S/C7H8/c1-3-5-7-6-4-2/h4,6-7H,1H2,2H3
InChIKeyUOPUHHNVRUFVMP-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hepta-1,2,3,5-tetraene?
The IUPAC name of hepta-1,2,3,5-tetraene (CID 91025831) is hepta-1,2,3,5-tetraene.
What is the SMILES notation for hepta-1,2,3,5-tetraene?
The canonical SMILES for hepta-1,2,3,5-tetraene is C=C=C=CC=CC.
What is the InChIKey of hepta-1,2,3,5-tetraene?
The InChIKey is UOPUHHNVRUFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-3-5-7-6-4-2/h4,6-7H,1H2,2H3.
What are the key properties of hepta-1,2,3,5-tetraene?
hepta-1,2,3,5-tetraene has a molecular weight of 92.14 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,2,3,5-tetraene is sourced from PubChem (CID 91025831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).