(2S,3S)-3-chloro-2-ethyloxolane

C6H11ClO — CID 71352818

IUPAC(2S,3S)-3-chloro-2-ethyloxolane
SMILESCC[C@@H]1OCC[C@@H]1Cl
InChIInChI=1S/C6H11ClO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyZWEMIDXBDBUPKU-WDSKDSINSA-N
MW134.61 g/mol
LogP1.79
Rot. Bonds1

About (2S,3S)-3-chloro-2-ethyloxolane

(2S,3S)-3-chloro-2-ethyloxolane (PubChem CID 71352818) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is (2S,3S)-3-chloro-2-ethyloxolane.

Molecular Properties

Compound Name(2S,3S)-3-chloro-2-ethyloxolane
PubChem CID71352818
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name(2S,3S)-3-chloro-2-ethyloxolane
SMILESCC[C@@H]1OCC[C@@H]1Cl
InChIInChI=1S/C6H11ClO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyZWEMIDXBDBUPKU-WDSKDSINSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-chloro-2-ethyloxolane?
The IUPAC name of (2S,3S)-3-chloro-2-ethyloxolane (CID 71352818) is (2S,3S)-3-chloro-2-ethyloxolane.
What is the SMILES notation for (2S,3S)-3-chloro-2-ethyloxolane?
The canonical SMILES for (2S,3S)-3-chloro-2-ethyloxolane is CC[C@@H]1OCC[C@@H]1Cl.
What is the InChIKey of (2S,3S)-3-chloro-2-ethyloxolane?
The InChIKey is ZWEMIDXBDBUPKU-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11ClO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-chloro-2-ethyloxolane?
(2S,3S)-3-chloro-2-ethyloxolane has a molecular weight of 134.61 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-chloro-2-ethyloxolane is sourced from PubChem (CID 71352818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).