2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone

C17H27NO3 — CID 156636443

IUPAC2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone
SMILESCCCCCCCCCC1=CC(=NO)C(C(=O)CO)C=C1
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-14-10-11-15(17(20)13-19)16(12-14)18-21/h10-12,15,19,21H,2-9,13H2,1H3
InChIKeyHUBKBYUPTMOWSU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.63
Rot. Bonds10

About 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone

2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 156636443) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone
PubChem CID156636443
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone
SMILESCCCCCCCCCC1=CC(=NO)C(C(=O)CO)C=C1
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-14-10-11-15(17(20)13-19)16(12-14)18-21/h10-12,15,19,21H,2-9,13H2,1H3
InChIKeyHUBKBYUPTMOWSU-UHFFFAOYSA-N
XLogP3.63
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol
CID 152758756
chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
CID 141235544
methanediol;nonane
CID 159588378
2,3-di(icosyl)terephthalic acid
CID 89482295
2,3-dihexadecylterephthalic acid
CID 70135464
2-nonyl-3-pentylterephthalic acid
CID 122470238
2-octylbicyclo[2.2.1]hepta-1,3,5-triene-7-carboxylic acid
CID 141400071
butane;ethane;heptane
CID 143121250
3,5-dihexylbenzoic acid
CID 141246135
1-methyl-3-octadecyl-1H-pyrrol-1-ium bromide
CID 135368716
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
CID 143192924
2-heptadecylcyclopenta-1,3-diene
CID 91156945

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone (CID 156636443) is 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone is CCCCCCCCCC1=CC(=NO)C(C(=O)CO)C=C1.
What is the InChIKey of 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is HUBKBYUPTMOWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-14-10-11-15(17(20)13-19)16(12-14)18-21/h10-12,15,19,21H,2-9,13H2,1H3.
What are the key properties of 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone?
2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 293.41 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 156636443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).