(5E)-5-hydroxyimino-4-propyloctan-4-ol

C11H23NO2 — CID 6382115

IUPAC(5E)-5-hydroxyimino-4-propyloctan-4-ol
SMILESCCC/C(=N\O)C(O)(CCC)CCC
InChIInChI=1S/C11H23NO2/c1-4-7-10(12-14)11(13,8-5-2)9-6-3/h13-14H,4-9H2,1-3H3/b12-10+
InChIKeyKWZUUIYYMFQIKC-ZRDIBKRKSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds7

About (5E)-5-hydroxyimino-4-propyloctan-4-ol

(5E)-5-hydroxyimino-4-propyloctan-4-ol (PubChem CID 6382115) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-4-propyloctan-4-ol.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-4-propyloctan-4-ol
PubChem CID6382115
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(5E)-5-hydroxyimino-4-propyloctan-4-ol
SMILESCCC/C(=N\O)C(O)(CCC)CCC
InChIInChI=1S/C11H23NO2/c1-4-7-10(12-14)11(13,8-5-2)9-6-3/h13-14H,4-9H2,1-3H3/b12-10+
InChIKeyKWZUUIYYMFQIKC-ZRDIBKRKSA-N
XLogP2.95
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-Hexanone, 3-hydroxy-3-methyl-, O-ethyloxime
CID 6509924
2-Hexanone, 3-hydroxy-3-methyl-, O-methyloxime
CID 6509925
Ethanone, 1-(1-hydroxycyclohexyl)-, O-methyloxime
CID 6510136
Ethanone, 1-(1-hydroxycyclohexyl)-, O-ethyloxime
CID 6510137
2-Hexanone, 3-hydroxy-3-propyl-, O-methyloxime
CID 6510139
2-Hexanone, 3-hydroxy-3-propyl-, O-ethyloxime
CID 6510140
5-Dodecanone, 6-butyl-6-hydroxy-, oxime
CID 90844
7-Butyl-7-hydroxydodecan-6-one oxime
CID 88328303
(2E)-2-hydroxyimino-3-methylhexan-3-ol
CID 9555308
(2E)-3-ethyl-2-hydroxyiminohexan-3-ol
CID 9555310
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]heptan-4-ol
CID 9555311
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]nonan-5-ol
CID 9555312

Frequently Asked Questions

What is the IUPAC name of (5E)-5-hydroxyimino-4-propyloctan-4-ol?
The IUPAC name of (5E)-5-hydroxyimino-4-propyloctan-4-ol (CID 6382115) is (5E)-5-hydroxyimino-4-propyloctan-4-ol.
What is the SMILES notation for (5E)-5-hydroxyimino-4-propyloctan-4-ol?
The canonical SMILES for (5E)-5-hydroxyimino-4-propyloctan-4-ol is CCC/C(=N\O)C(O)(CCC)CCC.
What is the InChIKey of (5E)-5-hydroxyimino-4-propyloctan-4-ol?
The InChIKey is KWZUUIYYMFQIKC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-10(12-14)11(13,8-5-2)9-6-3/h13-14H,4-9H2,1-3H3/b12-10+.
What are the key properties of (5E)-5-hydroxyimino-4-propyloctan-4-ol?
(5E)-5-hydroxyimino-4-propyloctan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-4-propyloctan-4-ol is sourced from PubChem (CID 6382115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).