3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde

C11H17NO2 — CID 88702995

IUPAC3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C(C)CC1=NO
InChIInChI=1S/C11H17NO2/c1-7-5-10(12-14)8(2)9(6-13)11(7,3)4/h6-7,14H,5H2,1-4H3
InChIKeyGIQYWTQHIJHPTC-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.40
Rot. Bonds1

About 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde

3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde (PubChem CID 88702995) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde
PubChem CID88702995
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C(C)CC1=NO
InChIInChI=1S/C11H17NO2/c1-7-5-10(12-14)8(2)9(6-13)11(7,3)4/h6-7,14H,5H2,1-4H3
InChIKeyGIQYWTQHIJHPTC-UHFFFAOYSA-N
XLogP2.40
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde?
The IUPAC name of 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde (CID 88702995) is 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde is CC1=C(C=O)C(C)(C)C(C)CC1=NO.
What is the InChIKey of 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde?
The InChIKey is GIQYWTQHIJHPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-5-10(12-14)8(2)9(6-13)11(7,3)4/h6-7,14H,5H2,1-4H3.
What are the key properties of 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde?
3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde has a molecular weight of 195.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-2,5,6,6-tetramethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 88702995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).