ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate

C11H18O3 — CID 101358283

IUPACethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
SMILESCCOC(=O)[C@H](O)[C@@H]1CCCC=C1C
InChIInChI=1S/C11H18O3/c1-3-14-11(13)10(12)9-7-5-4-6-8(9)2/h6,9-10,12H,3-5,7H2,1-2H3/t9-,10-/m1/s1
InChIKeyQUEVEGCSXONRHD-NXEZZACHSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds3

About ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate

ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate (PubChem CID 101358283) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
PubChem CID101358283
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
SMILESCCOC(=O)[C@H](O)[C@@H]1CCCC=C1C
InChIInChI=1S/C11H18O3/c1-3-14-11(13)10(12)9-7-5-4-6-8(9)2/h6,9-10,12H,3-5,7H2,1-2H3/t9-,10-/m1/s1
InChIKeyQUEVEGCSXONRHD-NXEZZACHSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
CID 10726121
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
[(1S)-2-methylcyclopent-2-en-1-yl] butanoate
CID 67826097
(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
CID 142509256
ethyl (2S)-2-hydroxy-2-[(2Z)-2-phenylmethoxycarbonyliminocyclohexyl]acetate
CID 11267606
ethyl (2S)-2-hydroxy-2-[(2E)-2-phenylmethoxycarbonyliminocyclohexyl]acetate
CID 15974561
ethyl (6S)-6-chlorocyclohexene-1-carboxylate
CID 124705412
ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate
CID 13174427
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
ethyl (2R)-3-(cyclohexen-1-yl)-2-hydroxybutanoate
CID 101090880
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 134373593

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate (CID 101358283) is ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate is CCOC(=O)[C@H](O)[C@@H]1CCCC=C1C.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate?
The InChIKey is QUEVEGCSXONRHD-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-14-11(13)10(12)9-7-5-4-6-8(9)2/h6,9-10,12H,3-5,7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate?
ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate has a molecular weight of 198.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate is sourced from PubChem (CID 101358283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).