2-ethyl-5-(iodomethyl)oxolane

C7H13IO — CID 130582736

IUPAC2-ethyl-5-(iodomethyl)oxolane
SMILESCCC1CCC(CI)O1
InChIInChI=1S/C7H13IO/c1-2-6-3-4-7(5-8)9-6/h6-7H,2-5H2,1H3
InChIKeyYBOUZXXZIXSTJH-UHFFFAOYSA-N
MW240.08 g/mol
LogP2.38
Rot. Bonds2

About 2-ethyl-5-(iodomethyl)oxolane

2-ethyl-5-(iodomethyl)oxolane (PubChem CID 130582736) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 2-ethyl-5-(iodomethyl)oxolane.

Molecular Properties

Compound Name2-ethyl-5-(iodomethyl)oxolane
PubChem CID130582736
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name2-ethyl-5-(iodomethyl)oxolane
SMILESCCC1CCC(CI)O1
InChIInChI=1S/C7H13IO/c1-2-6-3-4-7(5-8)9-6/h6-7H,2-5H2,1H3
InChIKeyYBOUZXXZIXSTJH-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(iodomethyl)oxolane?
The IUPAC name of 2-ethyl-5-(iodomethyl)oxolane (CID 130582736) is 2-ethyl-5-(iodomethyl)oxolane.
What is the SMILES notation for 2-ethyl-5-(iodomethyl)oxolane?
The canonical SMILES for 2-ethyl-5-(iodomethyl)oxolane is CCC1CCC(CI)O1.
What is the InChIKey of 2-ethyl-5-(iodomethyl)oxolane?
The InChIKey is YBOUZXXZIXSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c1-2-6-3-4-7(5-8)9-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethyl-5-(iodomethyl)oxolane?
2-ethyl-5-(iodomethyl)oxolane has a molecular weight of 240.08 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(iodomethyl)oxolane is sourced from PubChem (CID 130582736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).