ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate

C10H18O4 — CID 102316905

IUPACethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1OC[C@@H](C(C)C)[C@H]1O
InChIInChI=1S/C10H18O4/c1-4-13-10(12)9-8(11)7(5-14-9)6(2)3/h6-9,11H,4-5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyIFLPCELMSCCIMX-DJLDLDEBSA-N
MW202.25 g/mol
LogP0.58
Rot. Bonds3

About ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate

ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate (PubChem CID 102316905) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate
PubChem CID102316905
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1OC[C@@H](C(C)C)[C@H]1O
InChIInChI=1S/C10H18O4/c1-4-13-10(12)9-8(11)7(5-14-9)6(2)3/h6-9,11H,4-5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyIFLPCELMSCCIMX-DJLDLDEBSA-N
XLogP0.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-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 ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate (CID 102316905) is ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate is CCOC(=O)[C@@H]1OC[C@@H](C(C)C)[C@H]1O.
What is the InChIKey of ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate?
The InChIKey is IFLPCELMSCCIMX-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-10(12)9-8(11)7(5-14-9)6(2)3/h6-9,11H,4-5H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate?
ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4R)-3-hydroxy-4-propan-2-yloxolane-2-carboxylate is sourced from PubChem (CID 102316905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).