2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol

C5H6Cl4O — CID 19764189

IUPAC2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C5H6Cl4O/c1-3(10)2-4(6,7)5(3,8)9/h10H,2H2,1H3
InChIKeyOEVWVAOBKWXGEC-UHFFFAOYSA-N
MW223.91 g/mol
LogP2.49
Rot. Bonds

About 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol

2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol (PubChem CID 19764189) has the molecular formula C5H6Cl4O and a molecular weight of 223.91 g/mol. Its IUPAC name is 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol
PubChem CID19764189
Molecular FormulaC5H6Cl4O
Molecular Weight223.91 g/mol
Exact Mass221.92
IUPAC Name2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C5H6Cl4O/c1-3(10)2-4(6,7)5(3,8)9/h10H,2H2,1H3
InChIKeyOEVWVAOBKWXGEC-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.91
LogP ≤ 52.49
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 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol?
The IUPAC name of 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol (CID 19764189) is 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol.
What is the SMILES notation for 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol?
The canonical SMILES for 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol is CC1(O)CC(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol?
The InChIKey is OEVWVAOBKWXGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl4O/c1-3(10)2-4(6,7)5(3,8)9/h10H,2H2,1H3.
What are the key properties of 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol?
2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol has a molecular weight of 223.91 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol is sourced from PubChem (CID 19764189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).