ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate

C9H16O4 — CID 11030564

IUPACethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1OCC(C)(C)[C@@H]1O
InChIInChI=1S/C9H16O4/c1-4-12-8(11)6-7(10)9(2,3)5-13-6/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyUORFCPGNQKVYIV-NKWVEPMBSA-N
MW188.22 g/mol
LogP0.34
Rot. Bonds2

About ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate

ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate (PubChem CID 11030564) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate
PubChem CID11030564
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1OCC(C)(C)[C@@H]1O
InChIInChI=1S/C9H16O4/c1-4-12-8(11)6-7(10)9(2,3)5-13-6/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyUORFCPGNQKVYIV-NKWVEPMBSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-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 (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate?
The IUPAC name of ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate (CID 11030564) is ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate is CCOC(=O)[C@H]1OCC(C)(C)[C@@H]1O.
What is the InChIKey of ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate?
The InChIKey is UORFCPGNQKVYIV-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-12-8(11)6-7(10)9(2,3)5-13-6/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate?
ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-hydroxy-4,4-dimethyloxolane-2-carboxylate is sourced from PubChem (CID 11030564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).