ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene

C17H32 — CID 143653088

IUPACethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
SMILESC=C/C=C(\C=C(/C=C)CCC)CC.CC.CC
InChIInChI=1S/C13H20.2C2H6/c1-5-9-12(7-3)11-13(8-4)10-6-2;2*1-2/h5,8-9,11H,1,4,6-7,10H2,2-3H3;2*1-2H3/b12-9-,13-11+;;
InChIKeyUITFMMNHJFGAKH-SBOVCRHPSA-N
MW236.44 g/mol
LogP6.47
Rot. Bonds6

About ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene

ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene (PubChem CID 143653088) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
PubChem CID143653088
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
SMILESC=C/C=C(\C=C(/C=C)CCC)CC.CC.CC
InChIInChI=1S/C13H20.2C2H6/c1-5-9-12(7-3)11-13(8-4)10-6-2;2*1-2/h5,8-9,11H,1,4,6-7,10H2,2-3H3;2*1-2H3/b12-9-,13-11+;;
InChIKeyUITFMMNHJFGAKH-SBOVCRHPSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.47
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

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(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
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(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene (CID 143653088) is ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene is C=C/C=C(\C=C(/C=C)CCC)CC.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene?
The InChIKey is UITFMMNHJFGAKH-SBOVCRHPSA-N. The full InChI is InChI=1S/C13H20.2C2H6/c1-5-9-12(7-3)11-13(8-4)10-6-2;2*1-2/h5,8-9,11H,1,4,6-7,10H2,2-3H3;2*1-2H3/b12-9-,13-11+;;.
What are the key properties of ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene?
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene has a molecular weight of 236.44 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene is sourced from PubChem (CID 143653088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).