2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane

C11H21ClO — CID 23124426

IUPAC2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane
SMILESCCC1COC(Cl)C1CC(C)(C)C
InChIInChI=1S/C11H21ClO/c1-5-8-7-13-10(12)9(8)6-11(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyXXAQARCIFDIEET-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane

2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane (PubChem CID 23124426) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane.

Molecular Properties

Compound Name2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane
PubChem CID23124426
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane
SMILESCCC1COC(Cl)C1CC(C)(C)C
InChIInChI=1S/C11H21ClO/c1-5-8-7-13-10(12)9(8)6-11(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyXXAQARCIFDIEET-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.66
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-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane?
The IUPAC name of 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane (CID 23124426) is 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane.
What is the SMILES notation for 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane?
The canonical SMILES for 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane is CCC1COC(Cl)C1CC(C)(C)C.
What is the InChIKey of 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane?
The InChIKey is XXAQARCIFDIEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-5-8-7-13-10(12)9(8)6-11(2,3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane?
2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane has a molecular weight of 204.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,2-dimethylpropyl)-4-ethyloxolane is sourced from PubChem (CID 23124426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).