(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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Related Compounds

(4Z,6Z)-octa-1,2,4,6-tetraen-1-amine
CID 134313665
(4E)-hexa-2,4-diene
CID 22435466
hepta-1,2,3,5-tetraene
CID 91025831
ethene;penta-2,3-diene
CID 174357342
tetradeca-2,3,5,7-tetraene
CID 175300894
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
2-hexa-1,3,4-trienylbicyclo[2.2.1]heptane
CID 54274738
(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine
CID 155467518
buta-1,2-dienylsilane
CID 175247842
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
potassium;hexa-2,4-diene;hydride
CID 174550949
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447

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).