6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol

C16H27NO3 — CID 152758756

IUPAC6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol
SMILESCCCCCCCCCC1=CC(O)(O)C(C=NO)C=C1
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-14-10-11-15(13-17-20)16(18,19)12-14/h10-13,15,18-20H,2-9H2,1H3
InChIKeyVYOYXVDRFRBWPO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds9

About 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol

6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol (PubChem CID 152758756) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol
PubChem CID152758756
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol
SMILESCCCCCCCCCC1=CC(O)(O)C(C=NO)C=C1
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-14-10-11-15(13-17-20)16(18,19)12-14/h10-13,15,18-20H,2-9H2,1H3
InChIKeyVYOYXVDRFRBWPO-UHFFFAOYSA-N
XLogP3.38
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

2-hydroxy-1-(6-hydroxyimino-4-nonylcyclohexa-2,4-dien-1-yl)ethanone
CID 156636443
4-dodecyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 154210233
5-methyl-2-tetradecylcyclopenta-1,3-diene
CID 90487597
5-methyl-2-nonylcyclopenta-1,3-diene
CID 101132027
chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
CID 141235544
(4-pentylcyclohexa-2,4-dien-1-yl)boronic acid
CID 134064083
1-methyl-3-octadecyl-1H-pyrrol-1-ium bromide
CID 135368716
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
CID 135441937
2-heptadecylcyclopenta-1,3-diene
CID 91156945
N-[(2-heptylphenyl)methylidene]hydroxylamine
CID 160567988
6-(benzotriazol-2-yl)-1,4-dioctylcyclohexa-2,4-dien-1-ol
CID 175818096
2-butyl-5-methylcyclopenta-1,3-diene;zirconium
CID 174290613

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol (CID 152758756) is 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol is CCCCCCCCCC1=CC(O)(O)C(C=NO)C=C1.
What is the InChIKey of 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol?
The InChIKey is VYOYXVDRFRBWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-14-10-11-15(13-17-20)16(18,19)12-14/h10-13,15,18-20H,2-9H2,1H3.
What are the key properties of 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol?
6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol has a molecular weight of 281.40 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyiminomethyl)-3-nonylcyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 152758756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).