2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol

C12H23NO2 — CID 174999126

IUPAC2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol
SMILESCCCCCC1CCCC(=NO)C1(C)O
InChIInChI=1S/C12H23NO2/c1-3-4-5-7-10-8-6-9-11(13-15)12(10,2)14/h10,14-15H,3-9H2,1-2H3
InChIKeyQLTLVYFXDTXIHR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.95
Rot. Bonds4

About 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol

2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol (PubChem CID 174999126) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol.

Molecular Properties

Compound Name2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol
PubChem CID174999126
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol
SMILESCCCCCC1CCCC(=NO)C1(C)O
InChIInChI=1S/C12H23NO2/c1-3-4-5-7-10-8-6-9-11(13-15)12(10,2)14/h10,14-15H,3-9H2,1-2H3
InChIKeyQLTLVYFXDTXIHR-UHFFFAOYSA-N
XLogP2.95
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol?
The IUPAC name of 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol (CID 174999126) is 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol.
What is the SMILES notation for 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol?
The canonical SMILES for 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol is CCCCCC1CCCC(=NO)C1(C)O.
What is the InChIKey of 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol?
The InChIKey is QLTLVYFXDTXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-7-10-8-6-9-11(13-15)12(10,2)14/h10,14-15H,3-9H2,1-2H3.
What are the key properties of 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol?
2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-methyl-6-pentylcyclohexan-1-ol is sourced from PubChem (CID 174999126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).