(2E,4E)-3-ethylhepta-2,4-diene

C9H16 — CID 19878662

IUPAC(2E,4E)-3-ethylhepta-2,4-diene
SMILESC/C=C(/C=C/CC)CC
InChIInChI=1S/C9H16/c1-4-7-8-9(5-2)6-3/h5,7-8H,4,6H2,1-3H3/b8-7+,9-5+
InChIKeyXGAWMSJRPQPWSR-DMQCZMPNSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds3

About (2E,4E)-3-ethylhepta-2,4-diene

(2E,4E)-3-ethylhepta-2,4-diene (PubChem CID 19878662) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (2E,4E)-3-ethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-3-ethylhepta-2,4-diene
PubChem CID19878662
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(2E,4E)-3-ethylhepta-2,4-diene
SMILESC/C=C(/C=C/CC)CC
InChIInChI=1S/C9H16/c1-4-7-8-9(5-2)6-3/h5,7-8H,4,6H2,1-3H3/b8-7+,9-5+
InChIKeyXGAWMSJRPQPWSR-DMQCZMPNSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.31
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

Lycopene
CID 446925
Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-ethylhepta-2,4-diene?
The IUPAC name of (2E,4E)-3-ethylhepta-2,4-diene (CID 19878662) is (2E,4E)-3-ethylhepta-2,4-diene.
What is the SMILES notation for (2E,4E)-3-ethylhepta-2,4-diene?
The canonical SMILES for (2E,4E)-3-ethylhepta-2,4-diene is C/C=C(/C=C/CC)CC.
What is the InChIKey of (2E,4E)-3-ethylhepta-2,4-diene?
The InChIKey is XGAWMSJRPQPWSR-DMQCZMPNSA-N. The full InChI is InChI=1S/C9H16/c1-4-7-8-9(5-2)6-3/h5,7-8H,4,6H2,1-3H3/b8-7+,9-5+.
What are the key properties of (2E,4E)-3-ethylhepta-2,4-diene?
(2E,4E)-3-ethylhepta-2,4-diene has a molecular weight of 124.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-ethylhepta-2,4-diene is sourced from PubChem (CID 19878662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).