(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane

C4H4Cl4O — CID 130986352

IUPAC(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane
SMILESCl[C@H]1[C@H](Cl)[C@H](Cl)O[C@H]1Cl
InChIInChI=1S/C4H4Cl4O/c5-1-2(6)4(8)9-3(1)7/h1-4H/t1-,2-,3+,4+/m0/s1
InChIKeyYEGKLAWNZAYENJ-ORZLYADOSA-N
MW209.89 g/mol
LogP2.36
Rot. Bonds

About (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane

(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane (PubChem CID 130986352) has the molecular formula C4H4Cl4O and a molecular weight of 209.89 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane
PubChem CID130986352
Molecular FormulaC4H4Cl4O
Molecular Weight209.89 g/mol
Exact Mass207.90
IUPAC Name(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane
SMILESCl[C@H]1[C@H](Cl)[C@H](Cl)O[C@H]1Cl
InChIInChI=1S/C4H4Cl4O/c5-1-2(6)4(8)9-3(1)7/h1-4H/t1-,2-,3+,4+/m0/s1
InChIKeyYEGKLAWNZAYENJ-ORZLYADOSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.89
LogP ≤ 52.36
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,4S,5S)-2,3,4,5-tetrachlorooxolane?
The IUPAC name of (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane (CID 130986352) is (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane.
What is the SMILES notation for (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane?
The canonical SMILES for (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane is Cl[C@H]1[C@H](Cl)[C@H](Cl)O[C@H]1Cl.
What is the InChIKey of (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane?
The InChIKey is YEGKLAWNZAYENJ-ORZLYADOSA-N. The full InChI is InChI=1S/C4H4Cl4O/c5-1-2(6)4(8)9-3(1)7/h1-4H/t1-,2-,3+,4+/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane?
(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane has a molecular weight of 209.89 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane is sourced from PubChem (CID 130986352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).