(3E,5E)-hepta-1,3,5-triene

C7H10 — CID 5367390

IUPAC(3E,5E)-hepta-1,3,5-triene
SMILESC=C/C=C/C=C/C
InChIInChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+
InChIKeyUSKZHEQYENVSMH-YDFGWWAZSA-N
MW94.16 g/mol
LogP2.30
Rot. Bonds2

About (3E,5E)-hepta-1,3,5-triene

(3E,5E)-hepta-1,3,5-triene (PubChem CID 5367390) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (3E,5E)-hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-hepta-1,3,5-triene
PubChem CID5367390
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(3E,5E)-hepta-1,3,5-triene
SMILESC=C/C=C/C=C/C
InChIInChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+
InChIKeyUSKZHEQYENVSMH-YDFGWWAZSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.30
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 (3E,5E)-hepta-1,3,5-triene?
The IUPAC name of (3E,5E)-hepta-1,3,5-triene (CID 5367390) is (3E,5E)-hepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-hepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-hepta-1,3,5-triene is C=C/C=C/C=C/C.
What is the InChIKey of (3E,5E)-hepta-1,3,5-triene?
The InChIKey is USKZHEQYENVSMH-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-hepta-1,3,5-triene?
(3E,5E)-hepta-1,3,5-triene has a molecular weight of 94.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-hepta-1,3,5-triene is sourced from PubChem (CID 5367390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).