(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one

C10H17NO2 — CID 10702610

IUPAC(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one
SMILESCC(C)(C)C1CC/C(=N\O)C(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(2,3)7-4-5-8(11-13)9(12)6-7/h7,13H,4-6H2,1-3H3/b11-8+
InChIKeyXDLLYEVSSPUWOE-DHZHZOJOSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds

About (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one

(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one (PubChem CID 10702610) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one.

Molecular Properties

Compound Name(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one
PubChem CID10702610
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one
SMILESCC(C)(C)C1CC/C(=N\O)C(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(2,3)7-4-5-8(11-13)9(12)6-7/h7,13H,4-6H2,1-3H3/b11-8+
InChIKeyXDLLYEVSSPUWOE-DHZHZOJOSA-N
XLogP2.23
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

5-tert-butyl-2-methylidenecyclohexan-1-one;ethene
CID 170948504
(2Z)-4-tert-butyl-2-(hydroxymethylidene)cyclohexan-1-one
CID 70548170
4-tert-butylcyclohexan-1-one
CID 7392
(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
CID 135082030
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802
cis-(1S,5R)-5-tert-butyl-2-oxocyclohexane-1-carboxylic acid
CID 28744023
cis-(2S,4R)-4-tert-butyl-2-(hydroxymethyl)cyclohexan-1-one
CID 98617812
cis-(2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
CID 641779
cis-(2R,4S)-4-tert-butyl-2-fluorocyclohexan-1-one
CID 11030299
lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
CID 135082029
(2R)-4-tert-butyl-2-fluorocyclohexan-1-one
CID 131115898
(2E)-4-tert-butyl-2-(ethoxymethylidene)cyclohexan-1-one
CID 178195039

Frequently Asked Questions

What is the IUPAC name of (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one?
The IUPAC name of (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one (CID 10702610) is (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one.
What is the SMILES notation for (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one?
The canonical SMILES for (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one is CC(C)(C)C1CC/C(=N\O)C(=O)C1.
What is the InChIKey of (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one?
The InChIKey is XDLLYEVSSPUWOE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)7-4-5-8(11-13)9(12)6-7/h7,13H,4-6H2,1-3H3/b11-8+.
What are the key properties of (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one?
(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one is sourced from PubChem (CID 10702610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).