1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol

C26H45NO3 — CID 86742843

IUPAC1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
SMILESCCCCCCCCOC(CCCCCCCC)CC(O)C(=NO)c1ccccc1
InChIInChI=1S/C26H45NO3/c1-3-5-7-9-11-16-20-24(30-21-17-12-10-8-6-4-2)22-25(28)26(27-29)23-18-14-13-15-19-23/h13-15,18-19,24-25,28-29H,3-12,16-17,20-22H2,1-2H3
InChIKeyZGPQAWXLXLKQTD-UHFFFAOYSA-N
MW419.65 g/mol
LogP7.11
Rot. Bonds19

About 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol

1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol (PubChem CID 86742843) has the molecular formula C26H45NO3 and a molecular weight of 419.65 g/mol. Its IUPAC name is 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol.

Molecular Properties

Compound Name1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
PubChem CID86742843
Molecular FormulaC26H45NO3
Molecular Weight419.65 g/mol
Exact Mass419.34
IUPAC Name1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
SMILESCCCCCCCCOC(CCCCCCCC)CC(O)C(=NO)c1ccccc1
InChIInChI=1S/C26H45NO3/c1-3-5-7-9-11-16-20-24(30-21-17-12-10-8-6-4-2)22-25(28)26(27-29)23-18-14-13-15-19-23/h13-15,18-19,24-25,28-29H,3-12,16-17,20-22H2,1-2H3
InChIKeyZGPQAWXLXLKQTD-UHFFFAOYSA-N
XLogP7.11
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 57.11
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

3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
CID 87364737
1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
CID 87881302
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
CID 87636267
4-(10-bromodecoxy)dodecyl-phenyldiazene
CID 67872732
nonoxy(phenyl)methanol
CID 70405769
1-dodecoxyhexylbenzene
CID 174774790
octadecoxy(phenyl)methanol
CID 141167921
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-tetradecoxydecan-1-ol
CID 155667265
2-dodecoxytridecan-1-ol
CID 23171962

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol?
The IUPAC name of 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol (CID 86742843) is 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol.
What is the SMILES notation for 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol?
The canonical SMILES for 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol is CCCCCCCCOC(CCCCCCCC)CC(O)C(=NO)c1ccccc1.
What is the InChIKey of 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol?
The InChIKey is ZGPQAWXLXLKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO3/c1-3-5-7-9-11-16-20-24(30-21-17-12-10-8-6-4-2)22-25(28)26(27-29)23-18-14-13-15-19-23/h13-15,18-19,24-25,28-29H,3-12,16-17,20-22H2,1-2H3.
What are the key properties of 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol?
1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol has a molecular weight of 419.65 g/mol, XLogP of 7.11, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol is sourced from PubChem (CID 86742843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).