1-iodo-3-(iodomethoxy)propane

C4H8I2O — CID 14661364

IUPAC1-iodo-3-(iodomethoxy)propane
SMILESICCCOCI
InChIInChI=1S/C4H8I2O/c5-2-1-3-7-4-6/h1-4H2
InChIKeyAMNHBDWBKPONES-UHFFFAOYSA-N
MW325.92 g/mol
LogP2.22
Rot. Bonds4

About 1-iodo-3-(iodomethoxy)propane

1-iodo-3-(iodomethoxy)propane (PubChem CID 14661364) has the molecular formula C4H8I2O and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-iodo-3-(iodomethoxy)propane.

Molecular Properties

Compound Name1-iodo-3-(iodomethoxy)propane
PubChem CID14661364
Molecular FormulaC4H8I2O
Molecular Weight325.92 g/mol
Exact Mass325.87
IUPAC Name1-iodo-3-(iodomethoxy)propane
SMILESICCCOCI
InChIInChI=1S/C4H8I2O/c5-2-1-3-7-4-6/h1-4H2
InChIKeyAMNHBDWBKPONES-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Iodo-2-(2-iodoethoxy)ethane
CID 3430779
1-Iodo-3-methoxypropane
CID 13522989
1-Ethoxy-3-iodopropane
CID 12841433
2-Iodo-1-methoxypropane
CID 54006994
Ethane, 1,1'-oxybis[1-iodo-
CID 10860367
1-Iodo-4-(iodomethoxy)-butane
CID 14661365
1-Iodo-4-methoxybutane
CID 22707894
Ethyl 2-iodopropyl ether
CID 59112647
1-Iodo-3-(3-iodopropoxy)propane
CID 12683043
1-Iodo-2-propoxy-ethane
CID 14625508
1-(2,3-Diiodopropoxy)-2,3-diiodopropane
CID 17837232
1-Ethoxy-1,2-diiodoethane
CID 18403941

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(iodomethoxy)propane?
The IUPAC name of 1-iodo-3-(iodomethoxy)propane (CID 14661364) is 1-iodo-3-(iodomethoxy)propane.
What is the SMILES notation for 1-iodo-3-(iodomethoxy)propane?
The canonical SMILES for 1-iodo-3-(iodomethoxy)propane is ICCCOCI.
What is the InChIKey of 1-iodo-3-(iodomethoxy)propane?
The InChIKey is AMNHBDWBKPONES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2O/c5-2-1-3-7-4-6/h1-4H2.
What are the key properties of 1-iodo-3-(iodomethoxy)propane?
1-iodo-3-(iodomethoxy)propane has a molecular weight of 325.92 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(iodomethoxy)propane is sourced from PubChem (CID 14661364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).