4-tert-butyl-2-(2,2-dichloroethyl)oxolane

C10H18Cl2O — CID 15748896

IUPAC4-tert-butyl-2-(2,2-dichloroethyl)oxolane
SMILESCC(C)(C)C1COC(CC(Cl)Cl)C1
InChIInChI=1S/C10H18Cl2O/c1-10(2,3)7-4-8(13-6-7)5-9(11)12/h7-9H,4-6H2,1-3H3
InChIKeyNRPYYPXVNQJHOF-UHFFFAOYSA-N
MW225.16 g/mol
LogP3.63
Rot. Bonds2

About 4-tert-butyl-2-(2,2-dichloroethyl)oxolane

4-tert-butyl-2-(2,2-dichloroethyl)oxolane (PubChem CID 15748896) has the molecular formula C10H18Cl2O and a molecular weight of 225.16 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2-dichloroethyl)oxolane.

Molecular Properties

Compound Name4-tert-butyl-2-(2,2-dichloroethyl)oxolane
PubChem CID15748896
Molecular FormulaC10H18Cl2O
Molecular Weight225.16 g/mol
Exact Mass224.07
IUPAC Name4-tert-butyl-2-(2,2-dichloroethyl)oxolane
SMILESCC(C)(C)C1COC(CC(Cl)Cl)C1
InChIInChI=1S/C10H18Cl2O/c1-10(2,3)7-4-8(13-6-7)5-9(11)12/h7-9H,4-6H2,1-3H3
InChIKeyNRPYYPXVNQJHOF-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-2-(2,2-dichloroethyl)-5-isopropyltetrahydrofuran
CID 642405
5-(2,2-Dichloroethyl)-2,2-dimethyloxolane
CID 14027495
2-Chloro-4-ethyl-3-(2-methylbutan-2-yl)oxolane
CID 23124322
2-Chloro-3-(2-methylbutan-2-yl)oxolane
CID 23124327
2-Chloro-4-ethyl-3-(2-methylpropyl)oxolane
CID 23124367
3-Butyl-2-chloro-4-methyloxolane
CID 23124399
2-Chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane
CID 23124426
2-Chloro-4-methyl-3-(2-methylbutan-2-yl)oxolane
CID 23124453
2-Chloro-3-(2,2-dimethylpropyl)-4-methyloxolane
CID 23124496
5-(Chloromethyl)-2,4-dimethyl-2-propan-2-yloxyheptane
CID 129235367
(2S,3R,5S)-2-(3-chloropropyl)-3-methyl-5-(2-methylpropyl)oxolane
CID 168204434
(2R,5S)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane
CID 21582852

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,2-dichloroethyl)oxolane?
The IUPAC name of 4-tert-butyl-2-(2,2-dichloroethyl)oxolane (CID 15748896) is 4-tert-butyl-2-(2,2-dichloroethyl)oxolane.
What is the SMILES notation for 4-tert-butyl-2-(2,2-dichloroethyl)oxolane?
The canonical SMILES for 4-tert-butyl-2-(2,2-dichloroethyl)oxolane is CC(C)(C)C1COC(CC(Cl)Cl)C1.
What is the InChIKey of 4-tert-butyl-2-(2,2-dichloroethyl)oxolane?
The InChIKey is NRPYYPXVNQJHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2O/c1-10(2,3)7-4-8(13-6-7)5-9(11)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2,2-dichloroethyl)oxolane?
4-tert-butyl-2-(2,2-dichloroethyl)oxolane has a molecular weight of 225.16 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,2-dichloroethyl)oxolane is sourced from PubChem (CID 15748896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).