5-chloro-2-ethyl-3-methyloxolane

C7H13ClO — CID 18731526

IUPAC5-chloro-2-ethyl-3-methyloxolane
SMILESCCC1OC(Cl)CC1C
InChIInChI=1S/C7H13ClO/c1-3-6-5(2)4-7(8)9-6/h5-7H,3-4H2,1-2H3
InChIKeyNDECYCAOLLFPDR-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.39
Rot. Bonds1

About 5-chloro-2-ethyl-3-methyloxolane

5-chloro-2-ethyl-3-methyloxolane (PubChem CID 18731526) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-methyloxolane.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-methyloxolane
PubChem CID18731526
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name5-chloro-2-ethyl-3-methyloxolane
SMILESCCC1OC(Cl)CC1C
InChIInChI=1S/C7H13ClO/c1-3-6-5(2)4-7(8)9-6/h5-7H,3-4H2,1-2H3
InChIKeyNDECYCAOLLFPDR-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.39
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 5-chloro-2-ethyl-3-methyloxolane?
The IUPAC name of 5-chloro-2-ethyl-3-methyloxolane (CID 18731526) is 5-chloro-2-ethyl-3-methyloxolane.
What is the SMILES notation for 5-chloro-2-ethyl-3-methyloxolane?
The canonical SMILES for 5-chloro-2-ethyl-3-methyloxolane is CCC1OC(Cl)CC1C.
What is the InChIKey of 5-chloro-2-ethyl-3-methyloxolane?
The InChIKey is NDECYCAOLLFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-3-6-5(2)4-7(8)9-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-3-methyloxolane?
5-chloro-2-ethyl-3-methyloxolane has a molecular weight of 148.63 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-methyloxolane is sourced from PubChem (CID 18731526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).