ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate

C10H18O3 — CID 134968418

IUPACethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](CC)CC[C@@H]1O
InChIInChI=1S/C10H18O3/c1-3-7-5-6-8(11)9(7)10(12)13-4-2/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyGRUYAMFEPIODMD-XHNCKOQMSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate

ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate (PubChem CID 134968418) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate
PubChem CID134968418
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](CC)CC[C@@H]1O
InChIInChI=1S/C10H18O3/c1-3-7-5-6-8(11)9(7)10(12)13-4-2/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyGRUYAMFEPIODMD-XHNCKOQMSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate (CID 134968418) is ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate is CCOC(=O)[C@@H]1[C@@H](CC)CC[C@@H]1O.
What is the InChIKey of ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate?
The InChIKey is GRUYAMFEPIODMD-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-7-5-6-8(11)9(7)10(12)13-4-2/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate?
ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,5S)-2-ethyl-5-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 134968418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).