ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate

C11H20O3 — CID 10512234

IUPACethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](O)[C@@H](C)C1(C)C
InChIInChI=1S/C11H20O3/c1-5-14-10(13)8-6-9(12)7(2)11(8,3)4/h7-9,12H,5-6H2,1-4H3/t7-,8+,9+/m1/s1
InChIKeyBPYKVYMOKOWSFV-VGMNWLOBSA-N
MW200.28 g/mol
LogP1.59
Rot. Bonds2

About ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate

ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate (PubChem CID 10512234) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate
PubChem CID10512234
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](O)[C@@H](C)C1(C)C
InChIInChI=1S/C11H20O3/c1-5-14-10(13)8-6-9(12)7(2)11(8,3)4/h7-9,12H,5-6H2,1-4H3/t7-,8+,9+/m1/s1
InChIKeyBPYKVYMOKOWSFV-VGMNWLOBSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate (CID 10512234) is ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H](O)[C@@H](C)C1(C)C.
What is the InChIKey of ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The InChIKey is BPYKVYMOKOWSFV-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-14-10(13)8-6-9(12)7(2)11(8,3)4/h7-9,12H,5-6H2,1-4H3/t7-,8+,9+/m1/s1.
What are the key properties of ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate?
ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,3S,4S)-4-hydroxy-2,2,3-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 10512234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).