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

C15H25NO4 — CID 7074886

IUPACmethyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
SMILESCCCCC[C@H]1/C(=N/OC(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/b16-14+/t12-,13-/m1/s1
InChIKeyUOKKDVAEKABFRY-NDCYMYPRSA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds7

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

methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate (PubChem CID 7074886) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
PubChem CID7074886
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate
SMILESCCCCC[C@H]1/C(=N/OC(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/b16-14+/t12-,13-/m1/s1
InChIKeyUOKKDVAEKABFRY-NDCYMYPRSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate (CID 7074886) is methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate is CCCCC[C@H]1/C(=N/OC(C)=O)CC[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
The InChIKey is UOKKDVAEKABFRY-NDCYMYPRSA-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/b16-14+/t12-,13-/m1/s1.
What are the key properties of methyl 2-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate?
methyl 2-[(1R,2R,3E)-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-[(1R,2R,3E)-3-acetyloxyimino-2-pentylcyclopentyl]acetate is sourced from PubChem (CID 7074886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).