2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid

C10H17NO4 — CID 151658026

IUPAC2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)C1CCC(OC)CC1
InChIInChI=1S/C10H17NO4/c1-14-8-5-3-7(4-6-8)9(10(12)13)11-15-2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyQVXRUGJTMQHTGM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid

2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid (PubChem CID 151658026) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid
PubChem CID151658026
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)C1CCC(OC)CC1
InChIInChI=1S/C10H17NO4/c1-14-8-5-3-7(4-6-8)9(10(12)13)11-15-2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyQVXRUGJTMQHTGM-UHFFFAOYSA-N
XLogP1.28
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 8-[4-[(2R)-2-hydroxyoctyl]-3-propyl-4,5-dihydro-1,2-oxazol-5-yl]octanoate
CID 76331787
(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
Methyl 8-[4-(2-hydroxyoctyl)-3-propyl-4,5-dihydroisoxazol-5-yl]octanoate
CID 76853342
2-Hydroxyimino-3-(2-oxocyclohexyl)propionic acid, ethyl ester
CID 9603051
ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
CID 177606095
3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
CID 2759271
methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611517
cyclohexyl (2Z)-6-cyclohexyl-2-hydroxyiminohexanoate
CID 20402984
Ethyl 5-cyclohexyl-4,5-dihydroisoxazole-3-carboxylate
CID 66831757
5-Cyclohexyl-4,5-dihydroisoxazole-3-carboxylic acid
CID 66832151
Methyl 2-cyclohexyl-2-hydroxyiminoacetate
CID 73185455

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid?
The IUPAC name of 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid (CID 151658026) is 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid?
The canonical SMILES for 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid is CON=C(C(=O)O)C1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid?
The InChIKey is QVXRUGJTMQHTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-8-5-3-7(4-6-8)9(10(12)13)11-15-2/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid?
2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid has a molecular weight of 215.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 151658026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).