(5Z)-hepta-2,3,5-triene

C7H10 — CID 13356362

IUPAC(5Z)-hepta-2,3,5-triene
SMILESCC=C=C/C=C\C
InChIInChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2H3/b5-3-
InChIKeyXGDLHALGJCEPGB-HYXAFXHYSA-N
MW94.16 g/mol
LogP2.29
Rot. Bonds1

About (5Z)-hepta-2,3,5-triene

(5Z)-hepta-2,3,5-triene (PubChem CID 13356362) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (5Z)-hepta-2,3,5-triene.

Molecular Properties

Compound Name(5Z)-hepta-2,3,5-triene
PubChem CID13356362
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(5Z)-hepta-2,3,5-triene
SMILESCC=C=C/C=C\C
InChIInChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2H3/b5-3-
InChIKeyXGDLHALGJCEPGB-HYXAFXHYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.29
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 (5Z)-hepta-2,3,5-triene?
The IUPAC name of (5Z)-hepta-2,3,5-triene (CID 13356362) is (5Z)-hepta-2,3,5-triene.
What is the SMILES notation for (5Z)-hepta-2,3,5-triene?
The canonical SMILES for (5Z)-hepta-2,3,5-triene is CC=C=C/C=C\C.
What is the InChIKey of (5Z)-hepta-2,3,5-triene?
The InChIKey is XGDLHALGJCEPGB-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2H3/b5-3-.
What are the key properties of (5Z)-hepta-2,3,5-triene?
(5Z)-hepta-2,3,5-triene has a molecular weight of 94.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-hepta-2,3,5-triene is sourced from PubChem (CID 13356362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).