trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol

C8H15NO3 — CID 21308558

IUPACtrans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol
SMILESCO/N=C1/C[C@@H](O)C[C@H](O)C1C
InChIInChI=1S/C8H15NO3/c1-5-7(9-12-2)3-6(10)4-8(5)11/h5-6,8,10-11H,3-4H2,1-2H3/b9-7-/t5?,6-,8+/m1/s1
InChIKeyCYCJGKUDBASWET-GVYASCRYSA-N
MW173.21 g/mol
LogP0.14
Rot. Bonds1

About trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol

trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol (PubChem CID 21308558) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol
PubChem CID21308558
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nametrans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol
SMILESCO/N=C1/C[C@@H](O)C[C@H](O)C1C
InChIInChI=1S/C8H15NO3/c1-5-7(9-12-2)3-6(10)4-8(5)11/h5-6,8,10-11H,3-4H2,1-2H3/b9-7-/t5?,6-,8+/m1/s1
InChIKeyCYCJGKUDBASWET-GVYASCRYSA-N
XLogP0.14
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol with MolForge

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Related Compounds

(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol
CID 134992670
(3Z)-3-hydroxyimino-2-methylcyclohexan-1-ol
CID 134996633
trans-(1R,3S,5E)-5-methoxyimino-4-methylcyclohexane-1,3-diol
CID 88304091
trans-(1R,3S,5Z)-5-hydroxyimino-4-methylcyclohexane-1,3-diol
CID 88304155
trans-(1R,3S,5E)-5-hydroxyimino-4-methylcyclohexane-1,3-diol
CID 88304156
cis-(1S,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol
CID 88304176
cis-(1S,3S,5E)-5-methoxyimino-4-methylcyclohexane-1,3-diol
CID 88304646
cis-(1S,3S,5Z)-5-hydroxyimino-4-methylcyclohexane-1,3-diol
CID 88304904
cis-(1S,3S,5E)-5-hydroxyimino-4-methylcyclohexane-1,3-diol
CID 88304986
trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol
CID 118263183
trans-(1R,3S)-5-hydroxyimino-4-methylcyclohexane-1,3-diol
CID 130875562
trans-(1R,3S)-5-methoxyimino-4-methylcyclohexane-1,3-diol
CID 131039041

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol?
The IUPAC name of trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol (CID 21308558) is trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol.
What is the SMILES notation for trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol?
The canonical SMILES for trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol is CO/N=C1/C[C@@H](O)C[C@H](O)C1C.
What is the InChIKey of trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol?
The InChIKey is CYCJGKUDBASWET-GVYASCRYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-7(9-12-2)3-6(10)4-8(5)11/h5-6,8,10-11H,3-4H2,1-2H3/b9-7-/t5?,6-,8+/m1/s1.
What are the key properties of trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol?
trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol has a molecular weight of 173.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S,5Z)-5-methoxyimino-4-methylcyclohexane-1,3-diol is sourced from PubChem (CID 21308558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).