ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene

C15H29NO — CID 144798726

IUPACethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CC.CCN1CCOCC1
InChIInChI=1S/C7H10.C6H13NO.C2H6/c1-3-5-7-6-4-2;1-2-7-3-5-8-6-4-7;1-2/h3-7H,1H2,2H3;2-6H2,1H3;1-2H3/b6-4-,7-5-;;
InChIKeyVLTAKNCALFHXAS-RVMHNBBFSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds3

About ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene

ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene (PubChem CID 144798726) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene
PubChem CID144798726
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CC.CCN1CCOCC1
InChIInChI=1S/C7H10.C6H13NO.C2H6/c1-3-5-7-6-4-2;1-2-7-3-5-8-6-4-7;1-2/h3-7H,1H2,2H3;2-6H2,1H3;1-2H3/b6-4-,7-5-;;
InChIKeyVLTAKNCALFHXAS-RVMHNBBFSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene?
The IUPAC name of ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene (CID 144798726) is ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene.
What is the SMILES notation for ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene?
The canonical SMILES for ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene is C=C/C=C\C=C/C.CC.CCN1CCOCC1.
What is the InChIKey of ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene?
The InChIKey is VLTAKNCALFHXAS-RVMHNBBFSA-N. The full InChI is InChI=1S/C7H10.C6H13NO.C2H6/c1-3-5-7-6-4-2;1-2-7-3-5-8-6-4-7;1-2/h3-7H,1H2,2H3;2-6H2,1H3;1-2H3/b6-4-,7-5-;;.
What are the key properties of ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene?
ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene has a molecular weight of 239.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene is sourced from PubChem (CID 144798726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).