(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol

C7H15NO2 — CID 20584496

IUPAC(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol
SMILESCO/N=C(\CO)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(5-9)8-10-4/h9H,5H2,1-4H3/b8-6+
InChIKeyFNJVBNSHTVHTFK-SOFGYWHQSA-N
MW145.20 g/mol
LogP1.03
Rot. Bonds2

About (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol

(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol (PubChem CID 20584496) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol
PubChem CID20584496
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol
SMILESCO/N=C(\CO)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(5-9)8-10-4/h9H,5H2,1-4H3/b8-6+
InChIKeyFNJVBNSHTVHTFK-SOFGYWHQSA-N
XLogP1.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol?
The IUPAC name of (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol (CID 20584496) is (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol is CO/N=C(\CO)C(C)(C)C.
What is the InChIKey of (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol?
The InChIKey is FNJVBNSHTVHTFK-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)6(5-9)8-10-4/h9H,5H2,1-4H3/b8-6+.
What are the key properties of (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol?
(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol has a molecular weight of 145.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 20584496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).