ethane;(2Z,4Z)-hexa-2,4-diene

C12H28 — CID 90738434

IUPACethane;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.CC.CC.CC
InChIInChI=1S/C6H10.3C2H6/c1-3-5-6-4-2;3*1-2/h3-6H,1-2H3;3*1-2H3/b5-3-,6-4-;;;
InChIKeyTZGBHIJMRLMEQZ-CUVJRTGTSA-N
MW172.36 g/mol
LogP5.22
Rot. Bonds1

About ethane;(2Z,4Z)-hexa-2,4-diene

ethane;(2Z,4Z)-hexa-2,4-diene (PubChem CID 90738434) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is ethane;(2Z,4Z)-hexa-2,4-diene.

Molecular Properties

Compound Nameethane;(2Z,4Z)-hexa-2,4-diene
PubChem CID90738434
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Nameethane;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.CC.CC.CC
InChIInChI=1S/C6H10.3C2H6/c1-3-5-6-4-2;3*1-2/h3-6H,1-2H3;3*1-2H3/b5-3-,6-4-;;;
InChIKeyTZGBHIJMRLMEQZ-CUVJRTGTSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(2Z,4Z)-hexa-2,4-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

ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
(4E)-hexa-2,4-diene
CID 22435466
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
potassium;hexa-2,4-diene;hydride
CID 174550949
carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)
CID 159087607
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
ethane;hexa-2,4-diene;1-methylsulfanylprop-1-ene
CID 162283255
(Z)-but-2-ene;ethane
CID 90897883
penta-1,3-dienylsilane
CID 149252410
(1Z,3Z)-penta-1,3-diene-1-thiol
CID 126660407
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-hexa-2,4-diene?
The IUPAC name of ethane;(2Z,4Z)-hexa-2,4-diene (CID 90738434) is ethane;(2Z,4Z)-hexa-2,4-diene.
What is the SMILES notation for ethane;(2Z,4Z)-hexa-2,4-diene?
The canonical SMILES for ethane;(2Z,4Z)-hexa-2,4-diene is C/C=C\C=C/C.CC.CC.CC.
What is the InChIKey of ethane;(2Z,4Z)-hexa-2,4-diene?
The InChIKey is TZGBHIJMRLMEQZ-CUVJRTGTSA-N. The full InChI is InChI=1S/C6H10.3C2H6/c1-3-5-6-4-2;3*1-2/h3-6H,1-2H3;3*1-2H3/b5-3-,6-4-;;;.
What are the key properties of ethane;(2Z,4Z)-hexa-2,4-diene?
ethane;(2Z,4Z)-hexa-2,4-diene has a molecular weight of 172.36 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-hexa-2,4-diene is sourced from PubChem (CID 90738434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).