(2E,4E)-hepta-2,4-diene

C7H12 — CID 5367544

IUPAC(2E,4E)-hepta-2,4-diene
SMILESC/C=C/C=C/CC
InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChIKeyXTJLXXCARCJVPJ-TWTPFVCWSA-N
MW96.17 g/mol
LogP2.53
Rot. Bonds2

About (2E,4E)-hepta-2,4-diene

(2E,4E)-hepta-2,4-diene (PubChem CID 5367544) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (2E,4E)-hepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-hepta-2,4-diene
PubChem CID5367544
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(2E,4E)-hepta-2,4-diene
SMILESC/C=C/C=C/CC
InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChIKeyXTJLXXCARCJVPJ-TWTPFVCWSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.53
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

Cyclopentadiene
CID 7612
trans-2-Pentene
CID 5326161
cis-2-PENTENE
CID 5326160
1,4-Hexadiene
CID 11599
3-Heptene
CID 11612
Hex-2-ene
CID 19966
Hexene
CID 639661
Pent-2-ene
CID 12585
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
1,3-Hexadiene
CID 39175
Cycloheptatriene
CID 11000

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hepta-2,4-diene?
The IUPAC name of (2E,4E)-hepta-2,4-diene (CID 5367544) is (2E,4E)-hepta-2,4-diene.
What is the SMILES notation for (2E,4E)-hepta-2,4-diene?
The canonical SMILES for (2E,4E)-hepta-2,4-diene is C/C=C/C=C/CC.
What is the InChIKey of (2E,4E)-hepta-2,4-diene?
The InChIKey is XTJLXXCARCJVPJ-TWTPFVCWSA-N. The full InChI is InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+.
What are the key properties of (2E,4E)-hepta-2,4-diene?
(2E,4E)-hepta-2,4-diene has a molecular weight of 96.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hepta-2,4-diene is sourced from PubChem (CID 5367544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).