cyclooctyl 2-hydroxyimino-12-phenyldodecanoate

C26H41NO3 — CID 154139161

IUPACcyclooctyl 2-hydroxyimino-12-phenyldodecanoate
SMILESO=C(OC1CCCCCCC1)C(CCCCCCCCCCc1ccccc1)=NO
InChIInChI=1S/C26H41NO3/c28-26(30-24-20-14-7-5-8-15-21-24)25(27-29)22-16-9-4-2-1-3-6-11-17-23-18-12-10-13-19-23/h10,12-13,18-19,24,29H,1-9,11,14-17,20-22H2
InChIKeyLASNINBBHOBKSE-UHFFFAOYSA-N
MW415.62 g/mol
LogP7.23
Rot. Bonds13

About cyclooctyl 2-hydroxyimino-12-phenyldodecanoate

cyclooctyl 2-hydroxyimino-12-phenyldodecanoate (PubChem CID 154139161) has the molecular formula C26H41NO3 and a molecular weight of 415.62 g/mol. Its IUPAC name is cyclooctyl 2-hydroxyimino-12-phenyldodecanoate.

Molecular Properties

Compound Namecyclooctyl 2-hydroxyimino-12-phenyldodecanoate
PubChem CID154139161
Molecular FormulaC26H41NO3
Molecular Weight415.62 g/mol
Exact Mass415.31
IUPAC Namecyclooctyl 2-hydroxyimino-12-phenyldodecanoate
SMILESO=C(OC1CCCCCCC1)C(CCCCCCCCCCc1ccccc1)=NO
InChIInChI=1S/C26H41NO3/c28-26(30-24-20-14-7-5-8-15-21-24)25(27-29)22-16-9-4-2-1-3-6-11-17-23-18-12-10-13-19-23/h10,12-13,18-19,24,29H,1-9,11,14-17,20-22H2
InChIKeyLASNINBBHOBKSE-UHFFFAOYSA-N
XLogP7.23
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 57.23
H-Bond Donors ≤ 51
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'}

Analyze cyclooctyl 2-hydroxyimino-12-phenyldodecanoate 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

cyclododecyl 4-phenylbutanoate
CID 23159480
cyclohexyl (2Z)-2-hydroxyimino-6-nitrohexanoate
CID 88701805
dicyclohexyl 2-(4-phenylbutyl)propanedioate
CID 141391882
benzyl 5-cyclohexyl-2-hydroxyiminopentanoate
CID 73432788
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
benzyl 7-chloro-2-hydroxyiminoheptanoate
CID 73432719
15-phenylpentadecanoic acid
CID 2737151
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
benzyl 2-oxo-8-phenyloctanoate
CID 18371042
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate
CID 139937310
cyclohexyl benzylsulfanylformate
CID 14740472

Frequently Asked Questions

What is the IUPAC name of cyclooctyl 2-hydroxyimino-12-phenyldodecanoate?
The IUPAC name of cyclooctyl 2-hydroxyimino-12-phenyldodecanoate (CID 154139161) is cyclooctyl 2-hydroxyimino-12-phenyldodecanoate.
What is the SMILES notation for cyclooctyl 2-hydroxyimino-12-phenyldodecanoate?
The canonical SMILES for cyclooctyl 2-hydroxyimino-12-phenyldodecanoate is O=C(OC1CCCCCCC1)C(CCCCCCCCCCc1ccccc1)=NO.
What is the InChIKey of cyclooctyl 2-hydroxyimino-12-phenyldodecanoate?
The InChIKey is LASNINBBHOBKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO3/c28-26(30-24-20-14-7-5-8-15-21-24)25(27-29)22-16-9-4-2-1-3-6-11-17-23-18-12-10-13-19-23/h10,12-13,18-19,24,29H,1-9,11,14-17,20-22H2.
What are the key properties of cyclooctyl 2-hydroxyimino-12-phenyldodecanoate?
cyclooctyl 2-hydroxyimino-12-phenyldodecanoate has a molecular weight of 415.62 g/mol, XLogP of 7.23, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl 2-hydroxyimino-12-phenyldodecanoate is sourced from PubChem (CID 154139161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).