(5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid

C6H4Cl4O2 — CID 124833197

IUPAC(5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid
SMILESO=C(O)[C@@H]1CC12C(Cl)(Cl)C2(Cl)Cl
InChIInChI=1S/C6H4Cl4O2/c7-5(8)4(6(5,9)10)1-2(4)3(11)12/h2H,1H2,(H,11,12)/t2-/m0/s1
InChIKeyOAXSBVCQAMQFKW-REOHCLBHSA-N
MW249.91 g/mol
LogP2.44
Rot. Bonds1

About (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid

(5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid (PubChem CID 124833197) has the molecular formula C6H4Cl4O2 and a molecular weight of 249.91 g/mol. Its IUPAC name is (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid
PubChem CID124833197
Molecular FormulaC6H4Cl4O2
Molecular Weight249.91 g/mol
Exact Mass247.90
IUPAC Name(5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid
SMILESO=C(O)[C@@H]1CC12C(Cl)(Cl)C2(Cl)Cl
InChIInChI=1S/C6H4Cl4O2/c7-5(8)4(6(5,9)10)1-2(4)3(11)12/h2H,1H2,(H,11,12)/t2-/m0/s1
InChIKeyOAXSBVCQAMQFKW-REOHCLBHSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.91
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid?
The IUPAC name of (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid (CID 124833197) is (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid.
What is the SMILES notation for (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid?
The canonical SMILES for (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid is O=C(O)[C@@H]1CC12C(Cl)(Cl)C2(Cl)Cl.
What is the InChIKey of (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid?
The InChIKey is OAXSBVCQAMQFKW-REOHCLBHSA-N. The full InChI is InChI=1S/C6H4Cl4O2/c7-5(8)4(6(5,9)10)1-2(4)3(11)12/h2H,1H2,(H,11,12)/t2-/m0/s1.
What are the key properties of (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid?
(5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid has a molecular weight of 249.91 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid is sourced from PubChem (CID 124833197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).