(2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol

C11H19NO2 — CID 123661294

IUPAC(2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol
SMILESCON=C1C(CO)CC2CC1C2(C)C
InChIInChI=1S/C11H19NO2/c1-11(2)8-4-7(6-13)10(12-14-3)9(11)5-8/h7-9,13H,4-6H2,1-3H3
InChIKeyDMLZFAVRNGDIRG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds2

About (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol

(2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol (PubChem CID 123661294) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol.

Molecular Properties

Compound Name(2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol
PubChem CID123661294
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol
SMILESCON=C1C(CO)CC2CC1C2(C)C
InChIInChI=1S/C11H19NO2/c1-11(2)8-4-7(6-13)10(12-14-3)9(11)5-8/h7-9,13H,4-6H2,1-3H3
InChIKeyDMLZFAVRNGDIRG-UHFFFAOYSA-N
XLogP1.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol?
The IUPAC name of (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol (CID 123661294) is (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol.
What is the SMILES notation for (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol?
The canonical SMILES for (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol is CON=C1C(CO)CC2CC1C2(C)C.
What is the InChIKey of (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol?
The InChIKey is DMLZFAVRNGDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)8-4-7(6-13)10(12-14-3)9(11)5-8/h7-9,13H,4-6H2,1-3H3.
What are the key properties of (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol?
(2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol has a molecular weight of 197.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)methanol is sourced from PubChem (CID 123661294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).