5-ethyl-4-(iodomethyl)oxolan-2-one

C7H11IO2 — CID 102016789

IUPAC5-ethyl-4-(iodomethyl)oxolan-2-one
SMILESCCC1OC(=O)CC1CI
InChIInChI=1S/C7H11IO2/c1-2-6-5(4-8)3-7(9)10-6/h5-6H,2-4H2,1H3
InChIKeyBFCFJBOYQUOYFE-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.76
Rot. Bonds2

About 5-ethyl-4-(iodomethyl)oxolan-2-one

5-ethyl-4-(iodomethyl)oxolan-2-one (PubChem CID 102016789) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is 5-ethyl-4-(iodomethyl)oxolan-2-one.

Molecular Properties

Compound Name5-ethyl-4-(iodomethyl)oxolan-2-one
PubChem CID102016789
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name5-ethyl-4-(iodomethyl)oxolan-2-one
SMILESCCC1OC(=O)CC1CI
InChIInChI=1S/C7H11IO2/c1-2-6-5(4-8)3-7(9)10-6/h5-6H,2-4H2,1H3
InChIKeyBFCFJBOYQUOYFE-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-ethyl-4-(iodomethyl)oxolan-2-one?
The IUPAC name of 5-ethyl-4-(iodomethyl)oxolan-2-one (CID 102016789) is 5-ethyl-4-(iodomethyl)oxolan-2-one.
What is the SMILES notation for 5-ethyl-4-(iodomethyl)oxolan-2-one?
The canonical SMILES for 5-ethyl-4-(iodomethyl)oxolan-2-one is CCC1OC(=O)CC1CI.
What is the InChIKey of 5-ethyl-4-(iodomethyl)oxolan-2-one?
The InChIKey is BFCFJBOYQUOYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO2/c1-2-6-5(4-8)3-7(9)10-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-ethyl-4-(iodomethyl)oxolan-2-one?
5-ethyl-4-(iodomethyl)oxolan-2-one has a molecular weight of 254.07 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(iodomethyl)oxolan-2-one is sourced from PubChem (CID 102016789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).