(5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one

C7H9IO2 — CID 24770128

IUPAC(5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one
SMILESCCC1C/C(=C\I)OC1=O
InChIInChI=1S/C7H9IO2/c1-2-5-3-6(4-8)10-7(5)9/h4-5H,2-3H2,1H3/b6-4+
InChIKeyPJJBTHSAXBAGKE-GQCTYLIASA-N
MW252.05 g/mol
LogP2.24
Rot. Bonds1

About (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one

(5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one (PubChem CID 24770128) has the molecular formula C7H9IO2 and a molecular weight of 252.05 g/mol. Its IUPAC name is (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one
PubChem CID24770128
Molecular FormulaC7H9IO2
Molecular Weight252.05 g/mol
Exact Mass251.96
IUPAC Name(5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one
SMILESCCC1C/C(=C\I)OC1=O
InChIInChI=1S/C7H9IO2/c1-2-5-3-6(4-8)10-7(5)9/h4-5H,2-3H2,1H3/b6-4+
InChIKeyPJJBTHSAXBAGKE-GQCTYLIASA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one?
The IUPAC name of (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one (CID 24770128) is (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one.
What is the SMILES notation for (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one?
The canonical SMILES for (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one is CCC1C/C(=C\I)OC1=O.
What is the InChIKey of (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one?
The InChIKey is PJJBTHSAXBAGKE-GQCTYLIASA-N. The full InChI is InChI=1S/C7H9IO2/c1-2-5-3-6(4-8)10-7(5)9/h4-5H,2-3H2,1H3/b6-4+.
What are the key properties of (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one?
(5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one has a molecular weight of 252.05 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-(iodomethylidene)oxolan-2-one is sourced from PubChem (CID 24770128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).