ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine

C14H25NO — CID 153329604

IUPACethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
SMILESC=C/C=C(\C=C)CC1CN(C)CCO1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-4-6-11(5-2)9-12-10-13(3)7-8-14-12;1-2/h4-6,12H,1-2,7-10H2,3H3;1-2H3/b11-6+;
InChIKeyOOGLPMLDKHQAGA-ICSBZGNSSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds4

About ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine

ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine (PubChem CID 153329604) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine.

Molecular Properties

Compound Nameethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
PubChem CID153329604
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
SMILESC=C/C=C(\C=C)CC1CN(C)CCO1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-4-6-11(5-2)9-12-10-13(3)7-8-14-12;1-2/h4-6,12H,1-2,7-10H2,3H3;1-2H3/b11-6+;
InChIKeyOOGLPMLDKHQAGA-ICSBZGNSSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
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;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
The IUPAC name of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine (CID 153329604) is ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine.
What is the SMILES notation for ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
The canonical SMILES for ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine is C=C/C=C(\C=C)CC1CN(C)CCO1.CC.
What is the InChIKey of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
The InChIKey is OOGLPMLDKHQAGA-ICSBZGNSSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-4-6-11(5-2)9-12-10-13(3)7-8-14-12;1-2/h4-6,12H,1-2,7-10H2,3H3;1-2H3/b11-6+;.
What are the key properties of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine is sourced from PubChem (CID 153329604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).