trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate

C11H20O3 — CID 11481072

IUPACtrans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC(C)(C)[C@@]1(C)O
InChIInChI=1S/C11H20O3/c1-5-14-9(12)8-6-7-10(2,3)11(8,4)13/h8,13H,5-7H2,1-4H3/t8-,11+/m1/s1
InChIKeySDESCKSPULMCEN-KCJUWKMLSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds2

About trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate

trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate (PubChem CID 11481072) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate
PubChem CID11481072
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametrans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC(C)(C)[C@@]1(C)O
InChIInChI=1S/C11H20O3/c1-5-14-9(12)8-6-7-10(2,3)11(8,4)13/h8,13H,5-7H2,1-4H3/t8-,11+/m1/s1
InChIKeySDESCKSPULMCEN-KCJUWKMLSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate (CID 11481072) is trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate is CCOC(=O)[C@H]1CCC(C)(C)[C@@]1(C)O.
What is the InChIKey of trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate?
The InChIKey is SDESCKSPULMCEN-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-14-9(12)8-6-7-10(2,3)11(8,4)13/h8,13H,5-7H2,1-4H3/t8-,11+/m1/s1.
What are the key properties of trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate?
trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-hydroxy-2,3,3-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 11481072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).