(3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one

C10H12I2O3 — CID 10950129

IUPAC(3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one
SMILESO=C1OC(CI)C/C1=C1/CCC(CI)O1
InChIInChI=1S/C10H12I2O3/c11-4-6-1-2-9(14-6)8-3-7(5-12)15-10(8)13/h6-7H,1-5H2/b9-8+
InChIKeyVZRXAHJSCAIACH-CMDGGOBGSA-N
MW434.01 g/mol
LogP2.61
Rot. Bonds2

About (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one

(3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one (PubChem CID 10950129) has the molecular formula C10H12I2O3 and a molecular weight of 434.01 g/mol. Its IUPAC name is (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one.

Molecular Properties

Compound Name(3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one
PubChem CID10950129
Molecular FormulaC10H12I2O3
Molecular Weight434.01 g/mol
Exact Mass433.89
IUPAC Name(3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one
SMILESO=C1OC(CI)C/C1=C1/CCC(CI)O1
InChIInChI=1S/C10H12I2O3/c11-4-6-1-2-9(14-6)8-3-7(5-12)15-10(8)13/h6-7H,1-5H2/b9-8+
InChIKeyVZRXAHJSCAIACH-CMDGGOBGSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2(3H)-Furanone, 3-(dihydro-2(3H)-furanylidene)dihydro-
CID 5369034
(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
CID 5383499
3-(Oxolan-2-ylidene)oxolan-2-one
CID 298789
Ethyl 5-ethyl-2-(iodomethyl)-2,3-dihydrofuran-4-carboxylate
CID 178252099
(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one
CID 11008560
(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one
CID 11412743
(3E)-3-(1-methoxypropylidene)-5-methyloxolan-2-one
CID 14791702
(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one
CID 177467595
Ethyl 2,5-Dimethyl-4,5-Dihydrofuran-3-Carboxylate
CID 12668565
Methyl 2,5-dimethyl-2,3-dihydrofuran-4-carboxylate
CID 85974384
(3E)-5-methyl-3-(2-methyl-5-methylideneoxolan-3-ylidene)oxolan-2-one
CID 122533109
(3E)-5-methyl-3-(2-methyl-5-oxooxolan-3-ylidene)oxolan-2-one
CID 122534249

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one?
The IUPAC name of (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one (CID 10950129) is (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one.
What is the SMILES notation for (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one?
The canonical SMILES for (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one is O=C1OC(CI)C/C1=C1/CCC(CI)O1.
What is the InChIKey of (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one?
The InChIKey is VZRXAHJSCAIACH-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H12I2O3/c11-4-6-1-2-9(14-6)8-3-7(5-12)15-10(8)13/h6-7H,1-5H2/b9-8+.
What are the key properties of (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one?
(3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one has a molecular weight of 434.01 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(iodomethyl)-3-[5-(iodomethyl)oxolan-2-ylidene]oxolan-2-one is sourced from PubChem (CID 10950129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).