4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine

C13H25NO — CID 12725347

IUPAC4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine
SMILESCC(C)/C=C(\CC(C)C)N1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(2)9-13(10-12(3)4)14-5-7-15-8-6-14/h9,11-12H,5-8,10H2,1-4H3/b13-9+
InChIKeyKZWTVYJQGQAJJS-UKTHLTGXSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds4

About 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine

4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine (PubChem CID 12725347) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine
PubChem CID12725347
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine
SMILESCC(C)/C=C(\CC(C)C)N1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(2)9-13(10-12(3)4)14-5-7-15-8-6-14/h9,11-12H,5-8,10H2,1-4H3/b13-9+
InChIKeyKZWTVYJQGQAJJS-UKTHLTGXSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine?
The IUPAC name of 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine (CID 12725347) is 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine.
What is the SMILES notation for 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine?
The canonical SMILES for 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine is CC(C)/C=C(\CC(C)C)N1CCOCC1.
What is the InChIKey of 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine?
The InChIKey is KZWTVYJQGQAJJS-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)9-13(10-12(3)4)14-5-7-15-8-6-14/h9,11-12H,5-8,10H2,1-4H3/b13-9+.
What are the key properties of 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine?
4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine has a molecular weight of 211.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,6-dimethylhept-3-en-4-yl]morpholine is sourced from PubChem (CID 12725347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).