ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate

C11H20O3 — CID 125472215

IUPACethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1[C@H](C)CC[C@]1(C)O
InChIInChI=1S/C11H20O3/c1-4-14-10(12)7-9-8(2)5-6-11(9,3)13/h8-9,13H,4-7H2,1-3H3/t8-,9+,11+/m1/s1
InChIKeyRKYACJKGEOXWOF-YWVKMMECSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate

ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate (PubChem CID 125472215) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate
PubChem CID125472215
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1[C@H](C)CC[C@]1(C)O
InChIInChI=1S/C11H20O3/c1-4-14-10(12)7-9-8(2)5-6-11(9,3)13/h8-9,13H,4-7H2,1-3H3/t8-,9+,11+/m1/s1
InChIKeyRKYACJKGEOXWOF-YWVKMMECSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3,7-dihydroxy-15-cycloneranate
CID 156581680
rac-(1R,2R)-2-[(tert-butoxy)carbonyl]cyclopentane-1-carboxylic acid
CID 165982810
rac-tert-butyl (1R,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 177798374
2-[(1R,2S)-2-hydroxy-2-methylcyclopentyl]acetic acid
CID 101625410
ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate
CID 134968418
Ethyl (2-hydroxycyclopentyl)acetate
CID 71327527
methyl 2-[(1S,6aR)-6a-hydroxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]acetate
CID 10397829
Tert-butyl 3-(1-hydroxycyclopentyl)propanoate
CID 11106736
ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate
CID 14491871
ethyl (1R,2S,5S)-2-hydroxy-5-propylcyclopentane-1-carboxylate
CID 134958372
Tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 135011724
Ethyl 2-fluoro-2-(1-hydroxy-2-methylcyclopentyl)acetate
CID 79366561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate (CID 125472215) is ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate is CCOC(=O)C[C@H]1[C@H](C)CC[C@]1(C)O.
What is the InChIKey of ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate?
The InChIKey is RKYACJKGEOXWOF-YWVKMMECSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-14-10(12)7-9-8(2)5-6-11(9,3)13/h8-9,13H,4-7H2,1-3H3/t8-,9+,11+/m1/s1.
What are the key properties of ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate?
ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S,5R)-2-hydroxy-2,5-dimethylcyclopentyl]acetate is sourced from PubChem (CID 125472215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).