2-(1-chloroethyl)oxolane

C6H11ClO — CID 13220757

IUPAC2-(1-chloroethyl)oxolane
SMILESCC(Cl)C1CCCO1
InChIInChI=1S/C6H11ClO/c1-5(7)6-3-2-4-8-6/h5-6H,2-4H2,1H3
InChIKeyGWAALTYEOBRBEO-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.79
Rot. Bonds1

About 2-(1-chloroethyl)oxolane

2-(1-chloroethyl)oxolane (PubChem CID 13220757) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-(1-chloroethyl)oxolane.

Molecular Properties

Compound Name2-(1-chloroethyl)oxolane
PubChem CID13220757
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name2-(1-chloroethyl)oxolane
SMILESCC(Cl)C1CCCO1
InChIInChI=1S/C6H11ClO/c1-5(7)6-3-2-4-8-6/h5-6H,2-4H2,1H3
InChIKeyGWAALTYEOBRBEO-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.79
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

2-Chloromethyl tetrahydrofuran
CID 18150
2-(Chloromethyl)tetrahydro-2H-pyran
CID 97738
2-(Dichloromethyl)tetrahydrofuran
CID 551259
2-(2-Chloroethyl)oxolane
CID 55301862
2-Ethyl-3-chlorotetrahydrofuran
CID 13815761
(2S,3S)-3-chloro-2-ethyloxolane
CID 71352818
3-Chloro-2-methyloxane
CID 12536720
3-chlorotetrahydro-2-methylFuran
CID 13296750
2,3-Dichloro-2-methyloxolane
CID 13494585
2-(3-Chloropropyl)tetrahydrofuran
CID 14631670
2,5-Bis(chloromethyl)oxolane
CID 20347170
g-Chloro-2-ethyltetrahydrofuran
CID 57745277

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)oxolane?
The IUPAC name of 2-(1-chloroethyl)oxolane (CID 13220757) is 2-(1-chloroethyl)oxolane.
What is the SMILES notation for 2-(1-chloroethyl)oxolane?
The canonical SMILES for 2-(1-chloroethyl)oxolane is CC(Cl)C1CCCO1.
What is the InChIKey of 2-(1-chloroethyl)oxolane?
The InChIKey is GWAALTYEOBRBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-5(7)6-3-2-4-8-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-(1-chloroethyl)oxolane?
2-(1-chloroethyl)oxolane has a molecular weight of 134.61 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)oxolane is sourced from PubChem (CID 13220757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).