3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan

C8H12I2O2 — CID 24812597

IUPAC3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan
SMILESICC12CCOC1(CI)CCO2
InChIInChI=1S/C8H12I2O2/c9-5-7-1-3-11-8(7,6-10)2-4-12-7/h1-6H2
InChIKeyZSZBVKLOFORCCK-UHFFFAOYSA-N
MW393.99 g/mol
LogP2.17
Rot. Bonds2

About 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan

3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan (PubChem CID 24812597) has the molecular formula C8H12I2O2 and a molecular weight of 393.99 g/mol. Its IUPAC name is 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan
PubChem CID24812597
Molecular FormulaC8H12I2O2
Molecular Weight393.99 g/mol
Exact Mass393.89
IUPAC Name3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan
SMILESICC12CCOC1(CI)CCO2
InChIInChI=1S/C8H12I2O2/c9-5-7-1-3-11-8(7,6-10)2-4-12-7/h1-6H2
InChIKeyZSZBVKLOFORCCK-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 52.17
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 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan?
The IUPAC name of 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan (CID 24812597) is 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan.
What is the SMILES notation for 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan?
The canonical SMILES for 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan is ICC12CCOC1(CI)CCO2.
What is the InChIKey of 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan?
The InChIKey is ZSZBVKLOFORCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12I2O2/c9-5-7-1-3-11-8(7,6-10)2-4-12-7/h1-6H2.
What are the key properties of 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan?
3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan has a molecular weight of 393.99 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-bis(iodomethyl)-2,3,5,6-tetrahydrofuro[3,2-b]furan is sourced from PubChem (CID 24812597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).