(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine

C10H15NO — CID 123487270

IUPAC(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine
SMILES[H]/N=C(\C=C/C)C(/OC)=C(\C)C=C
InChIInChI=1S/C10H15NO/c1-5-7-9(11)10(12-4)8(3)6-2/h5-7,11H,2H2,1,3-4H3/b7-5-,10-8-,11-9+
InChIKeyXCQCUOWYZLHVES-IZYYEFCUSA-N
MW165.24 g/mol
LogP2.69
Rot. Bonds4

About (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine

(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine (PubChem CID 123487270) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine.

Molecular Properties

Compound Name(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine
PubChem CID123487270
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine
SMILES[H]/N=C(\C=C/C)C(/OC)=C(\C)C=C
InChIInChI=1S/C10H15NO/c1-5-7-9(11)10(12-4)8(3)6-2/h5-7,11H,2H2,1,3-4H3/b7-5-,10-8-,11-9+
InChIKeyXCQCUOWYZLHVES-IZYYEFCUSA-N
XLogP2.69
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine?
The IUPAC name of (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine (CID 123487270) is (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine.
What is the SMILES notation for (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine?
The canonical SMILES for (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine is [H]/N=C(\C=C/C)C(/OC)=C(\C)C=C.
What is the InChIKey of (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine?
The InChIKey is XCQCUOWYZLHVES-IZYYEFCUSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-7-9(11)10(12-4)8(3)6-2/h5-7,11H,2H2,1,3-4H3/b7-5-,10-8-,11-9+.
What are the key properties of (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine?
(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine has a molecular weight of 165.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine is sourced from PubChem (CID 123487270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).