(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol

C10H19NO2 — CID 134992670

IUPAC(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol
SMILESCCCCC1/C(=N\O)CCCC1O
InChIInChI=1S/C10H19NO2/c1-2-3-5-8-9(11-13)6-4-7-10(8)12/h8,10,12-13H,2-7H2,1H3/b11-9-
InChIKeyAJLUCTKKRFZPJG-LUAWRHEFSA-N
MW185.27 g/mol
LogP2.17
Rot. Bonds3

About (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol

(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol (PubChem CID 134992670) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol
PubChem CID134992670
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol
SMILESCCCCC1/C(=N\O)CCCC1O
InChIInChI=1S/C10H19NO2/c1-2-3-5-8-9(11-13)6-4-7-10(8)12/h8,10,12-13H,2-7H2,1H3/b11-9-
InChIKeyAJLUCTKKRFZPJG-LUAWRHEFSA-N
XLogP2.17
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.17
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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Related Compounds

6-Dodecanone, 5,8-diethyl-7-hydroxy-, oxime
CID 5361049
Ethanone, 1-(1-hydroxycyclohexyl)-, O-ethyloxime
CID 6510137
5,8-Diethyl-7-hydroxydodecan-6-one oxime
CID 38274
3-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955273
5,8-Diethyl-7-hydroxy-6-dodecanonoxime; 5,8-Diethyl-7-hydroxydodecan-6-oxime; 5,8-Diethyl-7-hydroxydodecane-6-oxime; LIX 63
CID 5371503
(3-Cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 64164351
4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol
CID 134893716
(3Z)-3-hydroxyimino-2-methylcyclohexan-1-ol
CID 134996633
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexyl]ethanol
CID 133615818
trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol
CID 21308558
(6E)-6-hydroxyimino-4,7-dimethyldecan-5-ol
CID 22755120
(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol
CID 22755126

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol?
The IUPAC name of (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol (CID 134992670) is (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol is CCCCC1/C(=N\O)CCCC1O.
What is the InChIKey of (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol?
The InChIKey is AJLUCTKKRFZPJG-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-5-8-9(11-13)6-4-7-10(8)12/h8,10,12-13H,2-7H2,1H3/b11-9-.
What are the key properties of (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol?
(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 134992670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).