(2Z)-2-ethoxyimino-3-methylhexan-3-ol

C9H19NO2 — CID 6509924

IUPAC(2Z)-2-ethoxyimino-3-methylhexan-3-ol
SMILESCCCC(C)(O)/C(C)=N\OCC
InChIInChI=1S/C9H19NO2/c1-5-7-9(4,11)8(3)10-12-6-2/h11H,5-7H2,1-4H3/b10-8-
InChIKeyMVHXLLNBURAVKS-NTMALXAHSA-N
MW173.26 g/mol
LogP1.95
Rot. Bonds5

About (2Z)-2-ethoxyimino-3-methylhexan-3-ol

(2Z)-2-ethoxyimino-3-methylhexan-3-ol (PubChem CID 6509924) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2Z)-2-ethoxyimino-3-methylhexan-3-ol.

Molecular Properties

Compound Name(2Z)-2-ethoxyimino-3-methylhexan-3-ol
PubChem CID6509924
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2Z)-2-ethoxyimino-3-methylhexan-3-ol
SMILESCCCC(C)(O)/C(C)=N\OCC
InChIInChI=1S/C9H19NO2/c1-5-7-9(4,11)8(3)10-12-6-2/h11H,5-7H2,1-4H3/b10-8-
InChIKeyMVHXLLNBURAVKS-NTMALXAHSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.95
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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Related Compounds

2-Hexanone, 3-hydroxy-3-methyl-, O-methyloxime
CID 6509925
Ethanone, 1-(1-hydroxycyclohexyl)-, O-methyloxime
CID 6510136
Ethanone, 1-(1-hydroxycyclohexyl)-, O-ethyloxime
CID 6510137
2-Hexanone, 3-hydroxy-3-propyl-, O-methyloxime
CID 6510139
2-Hexanone, 3-hydroxy-3-propyl-, O-ethyloxime
CID 6510140
(5E)-5-hydroxyimino-4-propyloctan-4-ol
CID 6382115
(2E)-2-hydroxyimino-3-methylhexan-3-ol
CID 9555308
(2E)-3-ethyl-2-hydroxyiminohexan-3-ol
CID 9555310
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]heptan-4-ol
CID 9555311
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]nonan-5-ol
CID 9555312
2-(Hydroxyimino)-3-methylhexan-3-ol
CID 325877
3-Ethyl-2-(hydroxyimino)hexan-3-ol
CID 325879

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethoxyimino-3-methylhexan-3-ol?
The IUPAC name of (2Z)-2-ethoxyimino-3-methylhexan-3-ol (CID 6509924) is (2Z)-2-ethoxyimino-3-methylhexan-3-ol.
What is the SMILES notation for (2Z)-2-ethoxyimino-3-methylhexan-3-ol?
The canonical SMILES for (2Z)-2-ethoxyimino-3-methylhexan-3-ol is CCCC(C)(O)/C(C)=N\OCC.
What is the InChIKey of (2Z)-2-ethoxyimino-3-methylhexan-3-ol?
The InChIKey is MVHXLLNBURAVKS-NTMALXAHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-9(4,11)8(3)10-12-6-2/h11H,5-7H2,1-4H3/b10-8-.
What are the key properties of (2Z)-2-ethoxyimino-3-methylhexan-3-ol?
(2Z)-2-ethoxyimino-3-methylhexan-3-ol has a molecular weight of 173.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethoxyimino-3-methylhexan-3-ol is sourced from PubChem (CID 6509924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).