ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene

C16H35NOS — CID 142324837

IUPACethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene
SMILESC=C/C=C(/C)SC.CC.CC.CCN1CCOCC1
InChIInChI=1S/C6H13NO.C6H10S.2C2H6/c1-2-7-3-5-8-6-4-7;1-4-5-6(2)7-3;2*1-2/h2-6H2,1H3;4-5H,1H2,2-3H3;2*1-2H3/b;6-5-;;
InChIKeySGUDUOZCRYNRNU-IMZIEXLQSA-N
MW289.53 g/mol
LogP4.83
Rot. Bonds3

About ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene

ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene (PubChem CID 142324837) has the molecular formula C16H35NOS and a molecular weight of 289.53 g/mol. Its IUPAC name is ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Nameethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene
PubChem CID142324837
Molecular FormulaC16H35NOS
Molecular Weight289.53 g/mol
Exact Mass289.24
IUPAC Nameethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene
SMILESC=C/C=C(/C)SC.CC.CC.CCN1CCOCC1
InChIInChI=1S/C6H13NO.C6H10S.2C2H6/c1-2-7-3-5-8-6-4-7;1-4-5-6(2)7-3;2*1-2/h2-6H2,1H3;4-5H,1H2,2-3H3;2*1-2H3/b;6-5-;;
InChIKeySGUDUOZCRYNRNU-IMZIEXLQSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-methylsulfanylpenta-1,3-diene?
The IUPAC name of ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene (CID 142324837) is ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene?
The canonical SMILES for ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene is C=C/C=C(/C)SC.CC.CC.CCN1CCOCC1.
What is the InChIKey of ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene?
The InChIKey is SGUDUOZCRYNRNU-IMZIEXLQSA-N. The full InChI is InChI=1S/C6H13NO.C6H10S.2C2H6/c1-2-7-3-5-8-6-4-7;1-4-5-6(2)7-3;2*1-2/h2-6H2,1H3;4-5H,1H2,2-3H3;2*1-2H3/b;6-5-;;.
What are the key properties of ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene?
ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene has a molecular weight of 289.53 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 142324837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).