methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate

C15H25NO4 — CID 124867076

IUPACmethyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
SMILESCCCCC[C@@H]1C(=NOC(C)=O)CC[C@H]1CC(=O)OC
InChIInChI=1S/C15H25NO4/c1-4-5-6-7-13-12(10-15(18)19-3)8-9-14(13)16-20-11(2)17/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyUOKKDVAEKABFRY-STQMWFEESA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds7

About methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate

methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate (PubChem CID 124867076) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
PubChem CID124867076
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
SMILESCCCCC[C@@H]1C(=NOC(C)=O)CC[C@H]1CC(=O)OC
InChIInChI=1S/C15H25NO4/c1-4-5-6-7-13-12(10-15(18)19-3)8-9-14(13)16-20-11(2)17/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyUOKKDVAEKABFRY-STQMWFEESA-N
XLogP3.08
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
CID 7074886
ethane-1,2-diol;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
CID 154944035
methyl 2-[(1S,2S)-2-butyl-3-oxocyclopentyl]acetate
CID 154944016
methyl 2-[(1S,2S)-2-pentylcyclopentyl]acetate
CID 68845600
ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 15452634
pentyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 54471337
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
ethane;3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CID 90787158
methyl (3Z)-2-hexyl-3-hydroxyiminocyclopentane-1-carboxylate
CID 6364849
7-[(1R,2S)-2-hexyl-5-hydroxyiminocyclopentyl]heptanoic acid
CID 88633091
methyl 2-[(1R,2S)-2-butyl-4-oxocyclopentyl]acetate
CID 54441543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
The IUPAC name of methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate (CID 124867076) is methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate is CCCCC[C@@H]1C(=NOC(C)=O)CC[C@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
The InChIKey is UOKKDVAEKABFRY-STQMWFEESA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-5-6-7-13-12(10-15(18)19-3)8-9-14(13)16-20-11(2)17/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate has a molecular weight of 283.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2S)-3-acetyloxyimino-2-pentylcyclopentyl]acetate is sourced from PubChem (CID 124867076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).