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

C8H17NO2 — CID 6509925

IUPAC(2Z)-2-methoxyimino-3-methylhexan-3-ol
SMILESCCCC(C)(O)/C(C)=N\OC
InChIInChI=1S/C8H17NO2/c1-5-6-8(3,10)7(2)9-11-4/h10H,5-6H2,1-4H3/b9-7-
InChIKeySSOQLUDBUABZFA-CLFYSBASSA-N
MW159.23 g/mol
LogP1.56
Rot. Bonds4

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

(2Z)-2-methoxyimino-3-methylhexan-3-ol (PubChem CID 6509925) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-3-methylhexan-3-ol.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-3-methylhexan-3-ol
PubChem CID6509925
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2Z)-2-methoxyimino-3-methylhexan-3-ol
SMILESCCCC(C)(O)/C(C)=N\OC
InChIInChI=1S/C8H17NO2/c1-5-6-8(3,10)7(2)9-11-4/h10H,5-6H2,1-4H3/b9-7-
InChIKeySSOQLUDBUABZFA-CLFYSBASSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.56
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-ethyloxime
CID 6509924
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
4-Hydroxy-4-methyl-pentan-2-one oxime
CID 85439537
(5E)-5-hydroxyimino-4-propyloctan-4-ol
CID 6382115
(2E)-2-hydroxyimino-3-methylhexan-3-ol
CID 9555308
(2E)-3-ethyl-2-hydroxyiminopentan-3-ol
CID 9555309
(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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-3-methylhexan-3-ol?
The IUPAC name of (2Z)-2-methoxyimino-3-methylhexan-3-ol (CID 6509925) is (2Z)-2-methoxyimino-3-methylhexan-3-ol.
What is the SMILES notation for (2Z)-2-methoxyimino-3-methylhexan-3-ol?
The canonical SMILES for (2Z)-2-methoxyimino-3-methylhexan-3-ol is CCCC(C)(O)/C(C)=N\OC.
What is the InChIKey of (2Z)-2-methoxyimino-3-methylhexan-3-ol?
The InChIKey is SSOQLUDBUABZFA-CLFYSBASSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6-8(3,10)7(2)9-11-4/h10H,5-6H2,1-4H3/b9-7-.
What are the key properties of (2Z)-2-methoxyimino-3-methylhexan-3-ol?
(2Z)-2-methoxyimino-3-methylhexan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-3-methylhexan-3-ol is sourced from PubChem (CID 6509925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).