6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine

C15H25NO — CID 89088362

IUPAC6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine
SMILESC=C(CC(/C(C)=C\CC)C1C=CCCN1)OC
InChIInChI=1S/C15H25NO/c1-5-8-12(2)14(11-13(3)17-4)15-9-6-7-10-16-15/h6,8-9,14-16H,3,5,7,10-11H2,1-2,4H3/b12-8-
InChIKeyXMXZDYMEYBRYSI-WQLSENKSSA-N
MW235.37 g/mol
LogP3.43
Rot. Bonds6

About 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine

6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 89088362) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine
PubChem CID89088362
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine
SMILESC=C(CC(/C(C)=C\CC)C1C=CCCN1)OC
InChIInChI=1S/C15H25NO/c1-5-8-12(2)14(11-13(3)17-4)15-9-6-7-10-16-15/h6,8-9,14-16H,3,5,7,10-11H2,1-2,4H3/b12-8-
InChIKeyXMXZDYMEYBRYSI-WQLSENKSSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine (CID 89088362) is 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine is C=C(CC(/C(C)=C\CC)C1C=CCCN1)OC.
What is the InChIKey of 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is XMXZDYMEYBRYSI-WQLSENKSSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-8-12(2)14(11-13(3)17-4)15-9-6-7-10-16-15/h6,8-9,14-16H,3,5,7,10-11H2,1-2,4H3/b12-8-.
What are the key properties of 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine?
6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 235.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89088362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).