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

C6H13NO2 — CID 134896876

IUPAC(3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESC/C(=N/O)C(C)(C)CO
InChIInChI=1S/C6H13NO2/c1-5(7-9)6(2,3)4-8/h8-9H,4H2,1-3H3/b7-5-
InChIKeyKLKAHQUKJMAQFU-ALCCZGGFSA-N
MW131.17 g/mol
LogP0.86
Rot. Bonds2

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

(3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol (PubChem CID 134896876) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name(3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol
PubChem CID134896876
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESC/C(=N/O)C(C)(C)CO
InChIInChI=1S/C6H13NO2/c1-5(7-9)6(2,3)4-8/h8-9H,4H2,1-3H3/b7-5-
InChIKeyKLKAHQUKJMAQFU-ALCCZGGFSA-N
XLogP0.86
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The IUPAC name of (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol (CID 134896876) is (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol.
What is the SMILES notation for (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The canonical SMILES for (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol is C/C(=N/O)C(C)(C)CO.
What is the InChIKey of (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The InChIKey is KLKAHQUKJMAQFU-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7-9)6(2,3)4-8/h8-9H,4H2,1-3H3/b7-5-.
What are the key properties of (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol?
(3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol has a molecular weight of 131.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 134896876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).