ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate

C23H37NO6 — CID 10502411

IUPACethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate
SMILESCCOC(=O)/C(=N\OC1CCCC1)[C@@H]1CC(=O)O[C@H]1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C23H37NO6/c1-5-27-22(26)21(24-30-16-8-6-7-9-16)18-13-20(25)29-23(18)28-19-12-15(4)10-11-17(19)14(2)3/h14-19,23H,5-13H2,1-4H3/b24-21-/t15-,17+,18-,19-,23+/m0/s1
InChIKeyGRSDKUOTSJUFTG-FHESUNONSA-N
MW423.55 g/mol
LogP4.23
Rot. Bonds8

About ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate

ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate (PubChem CID 10502411) has the molecular formula C23H37NO6 and a molecular weight of 423.55 g/mol. Its IUPAC name is ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate
PubChem CID10502411
Molecular FormulaC23H37NO6
Molecular Weight423.55 g/mol
Exact Mass423.26
IUPAC Nameethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate
SMILESCCOC(=O)/C(=N\OC1CCCC1)[C@@H]1CC(=O)O[C@H]1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C23H37NO6/c1-5-27-22(26)21(24-30-16-8-6-7-9-16)18-13-20(25)29-23(18)28-19-12-15(4)10-11-17(19)14(2)3/h14-19,23H,5-13H2,1-4H3/b24-21-/t15-,17+,18-,19-,23+/m0/s1
InChIKeyGRSDKUOTSJUFTG-FHESUNONSA-N
XLogP4.23
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate?
The IUPAC name of ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate (CID 10502411) is ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate.
What is the SMILES notation for ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate?
The canonical SMILES for ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate is CCOC(=O)/C(=N\OC1CCCC1)[C@@H]1CC(=O)O[C@H]1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate?
The InChIKey is GRSDKUOTSJUFTG-FHESUNONSA-N. The full InChI is InChI=1S/C23H37NO6/c1-5-27-22(26)21(24-30-16-8-6-7-9-16)18-13-20(25)29-23(18)28-19-12-15(4)10-11-17(19)14(2)3/h14-19,23H,5-13H2,1-4H3/b24-21-/t15-,17+,18-,19-,23+/m0/s1.
What are the key properties of ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate?
ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate has a molecular weight of 423.55 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate is sourced from PubChem (CID 10502411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).