benzyl 5-cyclohexyl-2-hydroxyiminopentanoate

C18H25NO3 — CID 73432788

IUPACbenzyl 5-cyclohexyl-2-hydroxyiminopentanoate
SMILESO=C(OCc1ccccc1)C(CCCC1CCCCC1)=NO
InChIInChI=1S/C18H25NO3/c20-18(22-14-16-10-5-2-6-11-16)17(19-21)13-7-12-15-8-3-1-4-9-15/h2,5-6,10-11,15,21H,1,3-4,7-9,12-14H2
InChIKeyYWVYYHVNPOAFDG-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.31
Rot. Bonds7

About benzyl 5-cyclohexyl-2-hydroxyiminopentanoate

benzyl 5-cyclohexyl-2-hydroxyiminopentanoate (PubChem CID 73432788) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is benzyl 5-cyclohexyl-2-hydroxyiminopentanoate.

Molecular Properties

Compound Namebenzyl 5-cyclohexyl-2-hydroxyiminopentanoate
PubChem CID73432788
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namebenzyl 5-cyclohexyl-2-hydroxyiminopentanoate
SMILESO=C(OCc1ccccc1)C(CCCC1CCCCC1)=NO
InChIInChI=1S/C18H25NO3/c20-18(22-14-16-10-5-2-6-11-16)17(19-21)13-7-12-15-8-3-1-4-9-15/h2,5-6,10-11,15,21H,1,3-4,7-9,12-14H2
InChIKeyYWVYYHVNPOAFDG-UHFFFAOYSA-N
XLogP4.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
benzyl 7-chloro-2-hydroxyiminoheptanoate
CID 73432719
methyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370113
dibenzyl (2E)-2-hydroxyiminopentanedioate
CID 46183552
cyclooctyl 2-hydroxyimino-12-phenyldodecanoate
CID 154139161
benzyl (2Z)-2-hydroxyimino-5-methoxy-5-phenylpentanoate
CID 18370746
benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate
CID 141142741
CID 131865884
CID 131865884
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766

Frequently Asked Questions

What is the IUPAC name of benzyl 5-cyclohexyl-2-hydroxyiminopentanoate?
The IUPAC name of benzyl 5-cyclohexyl-2-hydroxyiminopentanoate (CID 73432788) is benzyl 5-cyclohexyl-2-hydroxyiminopentanoate.
What is the SMILES notation for benzyl 5-cyclohexyl-2-hydroxyiminopentanoate?
The canonical SMILES for benzyl 5-cyclohexyl-2-hydroxyiminopentanoate is O=C(OCc1ccccc1)C(CCCC1CCCCC1)=NO.
What is the InChIKey of benzyl 5-cyclohexyl-2-hydroxyiminopentanoate?
The InChIKey is YWVYYHVNPOAFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(22-14-16-10-5-2-6-11-16)17(19-21)13-7-12-15-8-3-1-4-9-15/h2,5-6,10-11,15,21H,1,3-4,7-9,12-14H2.
What are the key properties of benzyl 5-cyclohexyl-2-hydroxyiminopentanoate?
benzyl 5-cyclohexyl-2-hydroxyiminopentanoate has a molecular weight of 303.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-cyclohexyl-2-hydroxyiminopentanoate is sourced from PubChem (CID 73432788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).