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

C6H7+ — CID 136870394

IUPAC(3Z)-hexa-1,3,5-triene
SMILES[H]/[C+]=C/C=C\C=C
InChIInChI=1S/C6H7/c1-3-5-6-4-2/h1,3-6H,2H2/q+1/b6-5-
InChIKeyGIDVKESLMPCNRR-WAYWQWQTSA-N
MW79.12 g/mol
LogP1.72
Rot. Bonds2

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

(3Z)-hexa-1,3,5-triene (PubChem CID 136870394) has the molecular formula C6H7+ and a molecular weight of 79.12 g/mol. Its IUPAC name is (3Z)-hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-hexa-1,3,5-triene
PubChem CID136870394
Molecular FormulaC6H7+
Molecular Weight79.12 g/mol
Exact Mass79.05
IUPAC Name(3Z)-hexa-1,3,5-triene
SMILES[H]/[C+]=C/C=C\C=C
InChIInChI=1S/C6H7/c1-3-5-6-4-2/h1,3-6H,2H2/q+1/b6-5-
InChIKeyGIDVKESLMPCNRR-WAYWQWQTSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.12
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 136870394) 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 [H]/[C+]=C/C=C\C=C.
What is the InChIKey of (3Z)-hexa-1,3,5-triene?
The InChIKey is GIDVKESLMPCNRR-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H7/c1-3-5-6-4-2/h1,3-6H,2H2/q+1/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 79.12 g/mol, XLogP of 1.72, 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 136870394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).