dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate

C11H19NO5 — CID 91749502

IUPACdimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate
SMILESCON=C(C)C(CCC(=O)OC)CC(=O)OC
InChIInChI=1S/C11H19NO5/c1-8(12-17-4)9(7-11(14)16-3)5-6-10(13)15-2/h9H,5-7H2,1-4H3
InChIKeyRHHHSUKOQLBALF-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.14
Rot. Bonds7

About dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate

dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate (PubChem CID 91749502) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate.

Molecular Properties

Compound Namedimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate
PubChem CID91749502
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namedimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate
SMILESCON=C(C)C(CCC(=O)OC)CC(=O)OC
InChIInChI=1S/C11H19NO5/c1-8(12-17-4)9(7-11(14)16-3)5-6-10(13)15-2/h9H,5-7H2,1-4H3
InChIKeyRHHHSUKOQLBALF-UHFFFAOYSA-N
XLogP1.14
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
alpha'-Oximino-alpha-methyladipinsauredimethylester
CID 129629701
methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
CID 15297219
(Propan-2-ylideneamino) 2-ethylpentanoate
CID 18716588
ethyl (2Z)-3-acetyl-2-methoxyimino-5-methylhexanoate
CID 57443247
ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate
CID 59873623
3-Acetyl-2-methoxyimino-5-methyl-hexanoic acid ethyl ester
CID 76540076
Methyl 2-(hydroxyimino)cyclopentaneacetate
CID 85757999
Ethyl 3-methoxyimino-4,5-dimethylheptanoate
CID 86074424
Ethyl 2-methoxyiminocyclopentane-1-carboxylate
CID 86168958
Methyl 2-hydroxyiminocyclopentane-1-carboxylate
CID 86184037
(4R,5R)-3-Methoxyimino-4,5-dimethyl-heptanoic Acid Ethyl Ester
CID 86597963

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate?
The IUPAC name of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate (CID 91749502) is dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate.
What is the SMILES notation for dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate?
The canonical SMILES for dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate is CON=C(C)C(CCC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate?
The InChIKey is RHHHSUKOQLBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(12-17-4)9(7-11(14)16-3)5-6-10(13)15-2/h9H,5-7H2,1-4H3.
What are the key properties of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate?
dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate has a molecular weight of 245.27 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)hexanedioate is sourced from PubChem (CID 91749502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).