ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene

C15H28 — CID 143078245

IUPACethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
SMILESC=C/C=C(\C=C/CC)/C=C/C.CC.CC
InChIInChI=1S/C11H16.2C2H6/c1-4-7-10-11(8-5-2)9-6-3;2*1-2/h5-10H,2,4H2,1,3H3;2*1-2H3/b9-6+,10-7-,11-8-;;
InChIKeyUYEJLJFYZKNMLL-NLJFUDLNSA-N
MW208.39 g/mol
LogP5.69
Rot. Bonds4

About ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene

ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene (PubChem CID 143078245) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
PubChem CID143078245
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nameethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
SMILESC=C/C=C(\C=C/CC)/C=C/C.CC.CC
InChIInChI=1S/C11H16.2C2H6/c1-4-7-10-11(8-5-2)9-6-3;2*1-2/h5-10H,2,4H2,1,3H3;2*1-2H3/b9-6+,10-7-,11-8-;;
InChIKeyUYEJLJFYZKNMLL-NLJFUDLNSA-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

propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
CID 155701401
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
(3Z,6Z)-4-ethenyl-5-methylidenenona-1,3,6-triene
CID 142571328
(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
CID 142143345
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene (CID 143078245) is ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene is C=C/C=C(\C=C/CC)/C=C/C.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene?
The InChIKey is UYEJLJFYZKNMLL-NLJFUDLNSA-N. The full InChI is InChI=1S/C11H16.2C2H6/c1-4-7-10-11(8-5-2)9-6-3;2*1-2/h5-10H,2,4H2,1,3H3;2*1-2H3/b9-6+,10-7-,11-8-;;.
What are the key properties of ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene?
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-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-[(E)-prop-1-enyl]octa-1,3,5-triene is sourced from PubChem (CID 143078245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).