5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one

C8H11IO2 — CID 11076361

IUPAC5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one
SMILESC/C(=C\I)CC1CCC(=O)O1
InChIInChI=1S/C8H11IO2/c1-6(5-9)4-7-2-3-8(10)11-7/h5,7H,2-4H2,1H3/b6-5+
InChIKeyMDYGEDSNYRWBAY-AATRIKPKSA-N
MW266.08 g/mol
LogP2.42
Rot. Bonds2

About 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one

5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one (PubChem CID 11076361) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one
PubChem CID11076361
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one
SMILESC/C(=C\I)CC1CCC(=O)O1
InChIInChI=1S/C8H11IO2/c1-6(5-9)4-7-2-3-8(10)11-7/h5,7H,2-4H2,1H3/b6-5+
InChIKeyMDYGEDSNYRWBAY-AATRIKPKSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.42
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 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one?
The IUPAC name of 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one (CID 11076361) is 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one.
What is the SMILES notation for 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one?
The canonical SMILES for 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one is C/C(=C\I)CC1CCC(=O)O1.
What is the InChIKey of 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one?
The InChIKey is MDYGEDSNYRWBAY-AATRIKPKSA-N. The full InChI is InChI=1S/C8H11IO2/c1-6(5-9)4-7-2-3-8(10)11-7/h5,7H,2-4H2,1H3/b6-5+.
What are the key properties of 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one?
5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one has a molecular weight of 266.08 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-iodo-2-methylprop-2-enyl]oxolan-2-one is sourced from PubChem (CID 11076361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).