1-iodo-3-(3-iodopropoxy)propane

C6H12I2O — CID 12683043

IUPAC1-iodo-3-(3-iodopropoxy)propane
SMILESICCCOCCCI
InChIInChI=1S/C6H12I2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKeyCUIMZKODSQPNSC-UHFFFAOYSA-N
MW353.97 g/mol
LogP2.65
Rot. Bonds6

About 1-iodo-3-(3-iodopropoxy)propane

1-iodo-3-(3-iodopropoxy)propane (PubChem CID 12683043) has the molecular formula C6H12I2O and a molecular weight of 353.97 g/mol. Its IUPAC name is 1-iodo-3-(3-iodopropoxy)propane.

Molecular Properties

Compound Name1-iodo-3-(3-iodopropoxy)propane
PubChem CID12683043
Molecular FormulaC6H12I2O
Molecular Weight353.97 g/mol
Exact Mass353.90
IUPAC Name1-iodo-3-(3-iodopropoxy)propane
SMILESICCCOCCCI
InChIInChI=1S/C6H12I2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKeyCUIMZKODSQPNSC-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.97
LogP ≤ 52.65
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
1-Ethoxy-2-iodoethane
CID 13869709
Ethane, 1,1'-oxybis[1-iodo-
CID 10860367
1-Iodo-4-(4-iodobutoxy)butane
CID 602937
1-(2-Iodoethoxy)-butane
CID 21522244
1-Iodo-3-(3-iodoprop-2-ynoxy)prop-1-yne
CID 11501103
1-Iodo-3-(iodomethoxy)propane
CID 14661364
1-Iodo-4-(iodomethoxy)-butane
CID 14661365
Jodather
CID 18791944

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(3-iodopropoxy)propane?
The IUPAC name of 1-iodo-3-(3-iodopropoxy)propane (CID 12683043) is 1-iodo-3-(3-iodopropoxy)propane.
What is the SMILES notation for 1-iodo-3-(3-iodopropoxy)propane?
The canonical SMILES for 1-iodo-3-(3-iodopropoxy)propane is ICCCOCCCI.
What is the InChIKey of 1-iodo-3-(3-iodopropoxy)propane?
The InChIKey is CUIMZKODSQPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2O/c7-3-1-5-9-6-2-4-8/h1-6H2.
What are the key properties of 1-iodo-3-(3-iodopropoxy)propane?
1-iodo-3-(3-iodopropoxy)propane has a molecular weight of 353.97 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(3-iodopropoxy)propane is sourced from PubChem (CID 12683043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).