(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol

C6H10Cl2O3 — CID 57102667

IUPAC(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol
SMILESCC1O[C@H](C(Cl)Cl)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10Cl2O3/c1-2-3(9)4(10)5(11-2)6(7)8/h2-6,9-10H,1H3/t2?,3-,4+,5+/m1/s1
InChIKeyDZSYQODFBNKWMC-UOODXVIRSA-N
MW201.05 g/mol
LogP0.30
Rot. Bonds1

About (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol

(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol (PubChem CID 57102667) has the molecular formula C6H10Cl2O3 and a molecular weight of 201.05 g/mol. Its IUPAC name is (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol
PubChem CID57102667
Molecular FormulaC6H10Cl2O3
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Name(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol
SMILESCC1O[C@H](C(Cl)Cl)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10Cl2O3/c1-2-3(9)4(10)5(11-2)6(7)8/h2-6,9-10H,1H3/t2?,3-,4+,5+/m1/s1
InChIKeyDZSYQODFBNKWMC-UOODXVIRSA-N
XLogP0.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol 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 (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol (CID 57102667) is (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol is CC1O[C@H](C(Cl)Cl)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol?
The InChIKey is DZSYQODFBNKWMC-UOODXVIRSA-N. The full InChI is InChI=1S/C6H10Cl2O3/c1-2-3(9)4(10)5(11-2)6(7)8/h2-6,9-10H,1H3/t2?,3-,4+,5+/m1/s1.
What are the key properties of (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol?
(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol has a molecular weight of 201.05 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 57102667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).