(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'}

Analyze (4E)-4-ethenyl-3-ethylhexa-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylhex-5-en-3-one
CID 130029751
3,5-diethyl-4-methylhepta-1,4-diene
CID 145063938
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
propan-2-yl (2R)-2-ethylbut-3-enoate
CID 101242272
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884
(1E)-2-tert-butyl-3-ethyl-N-methylpenta-1,4-dien-1-amine
CID 134338397
non-1-ene-3,7-diol
CID 22245625
(3E,5E)-6,7-bis(ethenyl)-3-methyldeca-1,3,5,9-tetraene
CID 142289547
1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
CID 166983011
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene
CID 142354278

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).