ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene

C13H22 — CID 145032190

IUPACethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
SMILESC=CC(/C=C\C)=C(\C=C)CC.CC
InChIInChI=1S/C11H16.C2H6/c1-5-9-11(8-4)10(6-2)7-3;1-2/h5-6,8-9H,2,4,7H2,1,3H3;1-2H3/b9-5-,11-10-;
InChIKeyRYJMSMNRISRACO-VGDSCVMISA-N
MW178.32 g/mol
LogP4.67
Rot. Bonds4

About ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene

ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene (PubChem CID 145032190) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
PubChem CID145032190
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Nameethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
SMILESC=CC(/C=C\C)=C(\C=C)CC.CC
InChIInChI=1S/C11H16.C2H6/c1-5-9-11(8-4)10(6-2)7-3;1-2/h5-6,8-9H,2,4,7H2,1,3H3;1-2H3/b9-5-,11-10-;
InChIKeyRYJMSMNRISRACO-VGDSCVMISA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene 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;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
CID 162432866
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
CID 143682761
ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium
CID 166091369
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
The IUPAC name of ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene (CID 145032190) is ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene is C=CC(/C=C\C)=C(\C=C)CC.CC.
What is the InChIKey of ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
The InChIKey is RYJMSMNRISRACO-VGDSCVMISA-N. The full InChI is InChI=1S/C11H16.C2H6/c1-5-9-11(8-4)10(6-2)7-3;1-2/h5-6,8-9H,2,4,7H2,1,3H3;1-2H3/b9-5-,11-10-;.
What are the key properties of ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene has a molecular weight of 178.32 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene is sourced from PubChem (CID 145032190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).