ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene

C17H32O — CID 143325885

IUPACethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene
SMILESC=C(/C=C\C=C/CC(CC)CCC)OCC.CC
InChIInChI=1S/C15H26O.C2H6/c1-5-11-15(6-2)13-10-8-9-12-14(4)16-7-3;1-2/h8-10,12,15H,4-7,11,13H2,1-3H3;1-2H3/b10-8-,12-9-;
InChIKeyFJRVMXQSRWNKGL-XXFFUJHZSA-N
MW252.44 g/mol
LogP5.89
Rot. Bonds9

About ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene

ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene (PubChem CID 143325885) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene
PubChem CID143325885
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene
SMILESC=C(/C=C\C=C/CC(CC)CCC)OCC.CC
InChIInChI=1S/C15H26O.C2H6/c1-5-11-15(6-2)13-10-8-9-12-14(4)16-7-3;1-2/h8-10,12,15H,4-7,11,13H2,1-3H3;1-2H3/b10-8-,12-9-;
InChIKeyFJRVMXQSRWNKGL-XXFFUJHZSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene (CID 143325885) is ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene is C=C(/C=C\C=C/CC(CC)CCC)OCC.CC.
What is the InChIKey of ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene?
The InChIKey is FJRVMXQSRWNKGL-XXFFUJHZSA-N. The full InChI is InChI=1S/C15H26O.C2H6/c1-5-11-15(6-2)13-10-8-9-12-14(4)16-7-3;1-2/h8-10,12,15H,4-7,11,13H2,1-3H3;1-2H3/b10-8-,12-9-;.
What are the key properties of ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene?
ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene has a molecular weight of 252.44 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene is sourced from PubChem (CID 143325885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).