methyl 5-hydroxyimino-6-methylnon-8-enoate

C11H19NO3 — CID 131865794

IUPACmethyl 5-hydroxyimino-6-methylnon-8-enoate
SMILESC=CCC(C)C(CCCC(=O)OC)=NO
InChIInChI=1S/C11H19NO3/c1-4-6-9(2)10(12-14)7-5-8-11(13)15-3/h4,9,14H,1,5-8H2,2-3H3
InChIKeyBAIPRVOYEHHVLB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.37
Rot. Bonds7

About methyl 5-hydroxyimino-6-methylnon-8-enoate

methyl 5-hydroxyimino-6-methylnon-8-enoate (PubChem CID 131865794) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 5-hydroxyimino-6-methylnon-8-enoate.

Molecular Properties

Compound Namemethyl 5-hydroxyimino-6-methylnon-8-enoate
PubChem CID131865794
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 5-hydroxyimino-6-methylnon-8-enoate
SMILESC=CCC(C)C(CCCC(=O)OC)=NO
InChIInChI=1S/C11H19NO3/c1-4-6-9(2)10(12-14)7-5-8-11(13)15-3/h4,9,14H,1,5-8H2,2-3H3
InChIKeyBAIPRVOYEHHVLB-UHFFFAOYSA-N
XLogP2.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methyl-3-oxohept-6-enoate
CID 14289171
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 6-methyl-7-oxoheptanoate
CID 19897350
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 5-methylidenenonanedioate
CID 121012075
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxyimino-6-methylnon-8-enoate?
The IUPAC name of methyl 5-hydroxyimino-6-methylnon-8-enoate (CID 131865794) is methyl 5-hydroxyimino-6-methylnon-8-enoate.
What is the SMILES notation for methyl 5-hydroxyimino-6-methylnon-8-enoate?
The canonical SMILES for methyl 5-hydroxyimino-6-methylnon-8-enoate is C=CCC(C)C(CCCC(=O)OC)=NO.
What is the InChIKey of methyl 5-hydroxyimino-6-methylnon-8-enoate?
The InChIKey is BAIPRVOYEHHVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-9(2)10(12-14)7-5-8-11(13)15-3/h4,9,14H,1,5-8H2,2-3H3.
What are the key properties of methyl 5-hydroxyimino-6-methylnon-8-enoate?
methyl 5-hydroxyimino-6-methylnon-8-enoate has a molecular weight of 213.28 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxyimino-6-methylnon-8-enoate is sourced from PubChem (CID 131865794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).