[(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol

C11H19NO2 — CID 88548686

IUPAC[(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCON=C1[C@H](CO)C[C@H]2C[C@@H]1C2(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/t7-,8-,9-/m0/s1
InChIKeyDMLZFAVRNGDIRG-CIUDSAMLSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds2

About [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol

[(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol (PubChem CID 88548686) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol
PubChem CID88548686
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCON=C1[C@H](CO)C[C@H]2C[C@@H]1C2(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/t7-,8-,9-/m0/s1
InChIKeyDMLZFAVRNGDIRG-CIUDSAMLSA-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 [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The IUPAC name of [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol (CID 88548686) is [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol.
What is the SMILES notation for [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The canonical SMILES for [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol is CON=C1[C@H](CO)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The InChIKey is DMLZFAVRNGDIRG-CIUDSAMLSA-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/t7-,8-,9-/m0/s1.
What are the key properties of [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
[(1R,3R,5R)-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 [(1R,3R,5R)-2-methoxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol is sourced from PubChem (CID 88548686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).