2-chloro-4-ethyl-3-(2-methylpropyl)oxolane

C10H19ClO — CID 23124367

IUPAC2-chloro-4-ethyl-3-(2-methylpropyl)oxolane
SMILESCCC1COC(Cl)C1CC(C)C
InChIInChI=1S/C10H19ClO/c1-4-8-6-12-10(11)9(8)5-7(2)3/h7-10H,4-6H2,1-3H3
InChIKeyBDFCMSDPLXQERP-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane

2-chloro-4-ethyl-3-(2-methylpropyl)oxolane (PubChem CID 23124367) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name2-chloro-4-ethyl-3-(2-methylpropyl)oxolane
PubChem CID23124367
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name2-chloro-4-ethyl-3-(2-methylpropyl)oxolane
SMILESCCC1COC(Cl)C1CC(C)C
InChIInChI=1S/C10H19ClO/c1-4-8-6-12-10(11)9(8)5-7(2)3/h7-10H,4-6H2,1-3H3
InChIKeyBDFCMSDPLXQERP-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.27
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-4-ethyl-3-(2-methylpropyl)oxolane?
The IUPAC name of 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane (CID 23124367) is 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane.
What is the SMILES notation for 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane?
The canonical SMILES for 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane is CCC1COC(Cl)C1CC(C)C.
What is the InChIKey of 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane?
The InChIKey is BDFCMSDPLXQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-4-8-6-12-10(11)9(8)5-7(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane?
2-chloro-4-ethyl-3-(2-methylpropyl)oxolane has a molecular weight of 190.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-3-(2-methylpropyl)oxolane is sourced from PubChem (CID 23124367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).