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

C15H28 — CID 143972745

IUPACethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
SMILESC=CC(/C=C\C)=C(/C=C)CC.CC.CC
InChIInChI=1S/C11H16.2C2H6/c1-5-9-11(8-4)10(6-2)7-3;2*1-2/h5-6,8-9H,2,4,7H2,1,3H3;2*1-2H3/b9-5-,11-10+;;
InChIKeyDFYKITPXPWCPGZ-CJARKPQXSA-N
MW208.39 g/mol
LogP5.69
Rot. Bonds4

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

ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene (PubChem CID 143972745) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
PubChem CID143972745
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nameethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
SMILESC=CC(/C=C\C)=C(/C=C)CC.CC.CC
InChIInChI=1S/C11H16.2C2H6/c1-5-9-11(8-4)10(6-2)7-3;2*1-2/h5-6,8-9H,2,4,7H2,1,3H3;2*1-2H3/b9-5-,11-10+;;
InChIKeyDFYKITPXPWCPGZ-CJARKPQXSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.69
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

ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
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;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene (CID 143972745) is ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene is C=CC(/C=C\C)=C(/C=C)CC.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
The InChIKey is DFYKITPXPWCPGZ-CJARKPQXSA-N. The full InChI is InChI=1S/C11H16.2C2H6/c1-5-9-11(8-4)10(6-2)7-3;2*1-2/h5-6,8-9H,2,4,7H2,1,3H3;2*1-2H3/b9-5-,11-10+;;.
What are the key properties of ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene?
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene has a molecular weight of 208.39 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene is sourced from PubChem (CID 143972745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).