(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate

C15H25NO3 — CID 123219816

IUPAC(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
SMILESC=C(C=CC(=CC)OC)CO/C(C)=N/C(C)(C)CO
InChIInChI=1S/C15H25NO3/c1-7-14(18-6)9-8-12(2)10-19-13(3)16-15(4,5)11-17/h7-9,17H,2,10-11H2,1,3-6H3/b9-8?,14-7?,16-13+
InChIKeyBFCDIYLJFIMLNK-QJUOJGSYSA-N
MW267.37 g/mol
LogP2.85
Rot. Bonds7

About (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate

(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate (PubChem CID 123219816) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate.

Molecular Properties

Compound Name(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
PubChem CID123219816
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
SMILESC=C(C=CC(=CC)OC)CO/C(C)=N/C(C)(C)CO
InChIInChI=1S/C15H25NO3/c1-7-14(18-6)9-8-12(2)10-19-13(3)16-15(4,5)11-17/h7-9,17H,2,10-11H2,1,3-6H3/b9-8?,14-7?,16-13+
InChIKeyBFCDIYLJFIMLNK-QJUOJGSYSA-N
XLogP2.85
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-methoxy-2-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 166777674
2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl] (3S)-2-hexyl-3-methyl-4-methylidene-5-oxooxolane-3-carboxylate
CID 143515230
(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 144927287
(2E,4Z)-3-ethoxy-6-methylidenenona-2,4-diene
CID 90782032
(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
CID 145179802
(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene
CID 144864848
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
tert-butyl-dimethyl-[(E)-2-methylidenehex-3-enoxy]silane
CID 11229887
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate?
The IUPAC name of (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate (CID 123219816) is (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate.
What is the SMILES notation for (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate?
The canonical SMILES for (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate is C=C(C=CC(=CC)OC)CO/C(C)=N/C(C)(C)CO.
What is the InChIKey of (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate?
The InChIKey is BFCDIYLJFIMLNK-QJUOJGSYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-14(18-6)9-8-12(2)10-19-13(3)16-15(4,5)11-17/h7-9,17H,2,10-11H2,1,3-6H3/b9-8?,14-7?,16-13+.
What are the key properties of (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate?
(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate has a molecular weight of 267.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate is sourced from PubChem (CID 123219816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).