cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate

C12H20N2O5 — CID 88701805

IUPACcyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate
SMILESO=C(OC1CCCCC1)/C(CCCC[N+](=O)[O-])=N\O
InChIInChI=1S/C12H20N2O5/c15-12(19-10-6-2-1-3-7-10)11(13-16)8-4-5-9-14(17)18/h10,16H,1-9H2/b13-11-
InChIKeyKDELRNTUCCPPJW-QBFSEMIESA-N
MW272.30 g/mol
LogP2.14
Rot. Bonds7

About cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate

cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate (PubChem CID 88701805) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate.

Molecular Properties

Compound Namecyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate
PubChem CID88701805
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namecyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate
SMILESO=C(OC1CCCCC1)/C(CCCC[N+](=O)[O-])=N\O
InChIInChI=1S/C12H20N2O5/c15-12(19-10-6-2-1-3-7-10)11(13-16)8-4-5-9-14(17)18/h10,16H,1-9H2/b13-11-
InChIKeyKDELRNTUCCPPJW-QBFSEMIESA-N
XLogP2.14
TPSA102.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclooctyl 2-hydroxyimino-12-phenyldodecanoate
CID 154139161
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
methyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370113
14-nitrotetradecanoic acid
CID 21425099
1,9-dinitrononan-5-one
CID 57313336
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
dicyclohexyl pentanedioate
CID 15593941
1,13-dinitrotridecane
CID 19902714
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
cyclohexyl 2-ethylidenedodecanoate
CID 174585832
cyclopentadecyl 8-bromooctanoate
CID 171623648
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate?
The IUPAC name of cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate (CID 88701805) is cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate.
What is the SMILES notation for cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate?
The canonical SMILES for cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate is O=C(OC1CCCCC1)/C(CCCC[N+](=O)[O-])=N\O.
What is the InChIKey of cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate?
The InChIKey is KDELRNTUCCPPJW-QBFSEMIESA-N. The full InChI is InChI=1S/C12H20N2O5/c15-12(19-10-6-2-1-3-7-10)11(13-16)8-4-5-9-14(17)18/h10,16H,1-9H2/b13-11-.
What are the key properties of cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate?
cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate has a molecular weight of 272.30 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate is sourced from PubChem (CID 88701805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).