methyl 3-methoxyimino-4,4-dimethylpentanoate

C9H17NO3 — CID 87786703

IUPACmethyl 3-methoxyimino-4,4-dimethylpentanoate
SMILESCON=C(CC(=O)OC)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)7(10-13-5)6-8(11)12-4/h6H2,1-5H3
InChIKeyHZQIJQNCVMCHSO-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds3

About methyl 3-methoxyimino-4,4-dimethylpentanoate

methyl 3-methoxyimino-4,4-dimethylpentanoate (PubChem CID 87786703) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-methoxyimino-4,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 3-methoxyimino-4,4-dimethylpentanoate
PubChem CID87786703
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-methoxyimino-4,4-dimethylpentanoate
SMILESCON=C(CC(=O)OC)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)7(10-13-5)6-8(11)12-4/h6H2,1-5H3
InChIKeyHZQIJQNCVMCHSO-UHFFFAOYSA-N
XLogP1.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxyimino-4,4-dimethylpentanoate?
The IUPAC name of methyl 3-methoxyimino-4,4-dimethylpentanoate (CID 87786703) is methyl 3-methoxyimino-4,4-dimethylpentanoate.
What is the SMILES notation for methyl 3-methoxyimino-4,4-dimethylpentanoate?
The canonical SMILES for methyl 3-methoxyimino-4,4-dimethylpentanoate is CON=C(CC(=O)OC)C(C)(C)C.
What is the InChIKey of methyl 3-methoxyimino-4,4-dimethylpentanoate?
The InChIKey is HZQIJQNCVMCHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)7(10-13-5)6-8(11)12-4/h6H2,1-5H3.
What are the key properties of methyl 3-methoxyimino-4,4-dimethylpentanoate?
methyl 3-methoxyimino-4,4-dimethylpentanoate has a molecular weight of 187.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxyimino-4,4-dimethylpentanoate is sourced from PubChem (CID 87786703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).