dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate

C14H21NO5 — CID 135004319

IUPACdimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate
SMILESCOC(=O)C(=C=NC1CCCCC1)C(OC)C(=O)OC
InChIInChI=1S/C14H21NO5/c1-18-12(14(17)20-3)11(13(16)19-2)9-15-10-7-5-4-6-8-10/h10,12H,4-8H2,1-3H3
InChIKeyVKCOTIZSPMLDGK-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.28
Rot. Bonds5

About dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate

dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate (PubChem CID 135004319) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate.

Molecular Properties

Compound Namedimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate
PubChem CID135004319
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namedimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate
SMILESCOC(=O)C(=C=NC1CCCCC1)C(OC)C(=O)OC
InChIInChI=1S/C14H21NO5/c1-18-12(14(17)20-3)11(13(16)19-2)9-15-10-7-5-4-6-8-10/h10,12H,4-8H2,1-3H3
InChIKeyVKCOTIZSPMLDGK-UHFFFAOYSA-N
XLogP1.28
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trimethyl 4-acetyl-1-cyclohexylimino-5-oxohex-1-ene-1,2,3-tricarboxylate
CID 15893083
dimethyl 2-(cyclohexyliminomethylidene)-3-(1,3-dioxo-1,3-diphenylpropan-2-yl)butanedioate
CID 15255379
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
dimethyl 2-(tert-butyliminomethylidene)-3-cyclohexylsulfanylbutanedioate
CID 132561806
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
N,N'-dicyclohexylmethanediimine;propan-2-one
CID 142827484
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
dimethyl 2-cyclopentyl-3-methylidenebutanedioate
CID 118363596
N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
CID 157326609
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate?
The IUPAC name of dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate (CID 135004319) is dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate.
What is the SMILES notation for dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate?
The canonical SMILES for dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate is COC(=O)C(=C=NC1CCCCC1)C(OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate?
The InChIKey is VKCOTIZSPMLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-12(14(17)20-3)11(13(16)19-2)9-15-10-7-5-4-6-8-10/h10,12H,4-8H2,1-3H3.
What are the key properties of dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate?
dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate has a molecular weight of 283.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate is sourced from PubChem (CID 135004319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).