(4E)-4-ethenyl-3-ethylhexa-1,4-diene

C10H16 — CID 123978588

IUPAC(4E)-4-ethenyl-3-ethylhexa-1,4-diene
SMILESC=C/C(=C\C)C(C=C)CC
InChIInChI=1S/C10H16/c1-5-9(6-2)10(7-3)8-4/h5-7,10H,1,3,8H2,2,4H3/b9-6+
InChIKeyGMSSRGLBYWNSNY-RMKNXTFCSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds4

About (4E)-4-ethenyl-3-ethylhexa-1,4-diene

(4E)-4-ethenyl-3-ethylhexa-1,4-diene (PubChem CID 123978588) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (4E)-4-ethenyl-3-ethylhexa-1,4-diene.

Molecular Properties

Compound Name(4E)-4-ethenyl-3-ethylhexa-1,4-diene
PubChem CID123978588
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(4E)-4-ethenyl-3-ethylhexa-1,4-diene
SMILESC=C/C(=C\C)C(C=C)CC
InChIInChI=1S/C10H16/c1-5-9(6-2)10(7-3)8-4/h5-7,10H,1,3,8H2,2,4H3/b9-6+
InChIKeyGMSSRGLBYWNSNY-RMKNXTFCSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethenyl-3-ethylhexa-1,4-diene?
The IUPAC name of (4E)-4-ethenyl-3-ethylhexa-1,4-diene (CID 123978588) is (4E)-4-ethenyl-3-ethylhexa-1,4-diene.
What is the SMILES notation for (4E)-4-ethenyl-3-ethylhexa-1,4-diene?
The canonical SMILES for (4E)-4-ethenyl-3-ethylhexa-1,4-diene is C=C/C(=C\C)C(C=C)CC.
What is the InChIKey of (4E)-4-ethenyl-3-ethylhexa-1,4-diene?
The InChIKey is GMSSRGLBYWNSNY-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16/c1-5-9(6-2)10(7-3)8-4/h5-7,10H,1,3,8H2,2,4H3/b9-6+.
What are the key properties of (4E)-4-ethenyl-3-ethylhexa-1,4-diene?
(4E)-4-ethenyl-3-ethylhexa-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethenyl-3-ethylhexa-1,4-diene is sourced from PubChem (CID 123978588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).