(3Z)-hexa-1,3,5-triene

C6H8 — CID 5367415

IUPAC(3Z)-hexa-1,3,5-triene
SMILESC=C/C=C\C=C
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-
InChIKeyAFVDZBIIBXWASR-WAYWQWQTSA-N
MW80.13 g/mol
LogP1.91
Rot. Bonds2

About (3Z)-hexa-1,3,5-triene

(3Z)-hexa-1,3,5-triene (PubChem CID 5367415) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is (3Z)-hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-hexa-1,3,5-triene
PubChem CID5367415
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name(3Z)-hexa-1,3,5-triene
SMILESC=C/C=C\C=C
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-
InChIKeyAFVDZBIIBXWASR-WAYWQWQTSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.91
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 (3Z)-hexa-1,3,5-triene?
The IUPAC name of (3Z)-hexa-1,3,5-triene (CID 5367415) is (3Z)-hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-hexa-1,3,5-triene?
The canonical SMILES for (3Z)-hexa-1,3,5-triene is C=C/C=C\C=C.
What is the InChIKey of (3Z)-hexa-1,3,5-triene?
The InChIKey is AFVDZBIIBXWASR-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-.
What are the key properties of (3Z)-hexa-1,3,5-triene?
(3Z)-hexa-1,3,5-triene has a molecular weight of 80.13 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hexa-1,3,5-triene is sourced from PubChem (CID 5367415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).