2,2,3-trimethyl-5-(trichloromethyl)oxolane

C8H13Cl3O — CID 86146962

IUPAC2,2,3-trimethyl-5-(trichloromethyl)oxolane
SMILESCC1CC(C(Cl)(Cl)Cl)OC1(C)C
InChIInChI=1S/C8H13Cl3O/c1-5-4-6(8(9,10)11)12-7(5,2)3/h5-6H,4H2,1-3H3
InChIKeyQUMPFUMAYJCBQR-UHFFFAOYSA-N
MW231.55 g/mol
LogP3.56
Rot. Bonds

About 2,2,3-trimethyl-5-(trichloromethyl)oxolane

2,2,3-trimethyl-5-(trichloromethyl)oxolane (PubChem CID 86146962) has the molecular formula C8H13Cl3O and a molecular weight of 231.55 g/mol. Its IUPAC name is 2,2,3-trimethyl-5-(trichloromethyl)oxolane.

Molecular Properties

Compound Name2,2,3-trimethyl-5-(trichloromethyl)oxolane
PubChem CID86146962
Molecular FormulaC8H13Cl3O
Molecular Weight231.55 g/mol
Exact Mass230.00
IUPAC Name2,2,3-trimethyl-5-(trichloromethyl)oxolane
SMILESCC1CC(C(Cl)(Cl)Cl)OC1(C)C
InChIInChI=1S/C8H13Cl3O/c1-5-4-6(8(9,10)11)12-7(5,2)3/h5-6H,4H2,1-3H3
InChIKeyQUMPFUMAYJCBQR-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.55
LogP ≤ 53.56
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 2,2,3-trimethyl-5-(trichloromethyl)oxolane?
The IUPAC name of 2,2,3-trimethyl-5-(trichloromethyl)oxolane (CID 86146962) is 2,2,3-trimethyl-5-(trichloromethyl)oxolane.
What is the SMILES notation for 2,2,3-trimethyl-5-(trichloromethyl)oxolane?
The canonical SMILES for 2,2,3-trimethyl-5-(trichloromethyl)oxolane is CC1CC(C(Cl)(Cl)Cl)OC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-5-(trichloromethyl)oxolane?
The InChIKey is QUMPFUMAYJCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl3O/c1-5-4-6(8(9,10)11)12-7(5,2)3/h5-6H,4H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-5-(trichloromethyl)oxolane?
2,2,3-trimethyl-5-(trichloromethyl)oxolane has a molecular weight of 231.55 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-5-(trichloromethyl)oxolane is sourced from PubChem (CID 86146962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).