5-(2,3-diiodopropoxy)pentan-1-ol

C8H16I2O2 — CID 135038659

IUPAC5-(2,3-diiodopropoxy)pentan-1-ol
SMILESOCCCCCOCC(I)CI
InChIInChI=1S/C8H16I2O2/c9-6-8(10)7-12-5-3-1-2-4-11/h8,11H,1-7H2
InChIKeyCLURZGAMAQXPPM-UHFFFAOYSA-N
MW398.02 g/mol
LogP2.40
Rot. Bonds8

About 5-(2,3-diiodopropoxy)pentan-1-ol

5-(2,3-diiodopropoxy)pentan-1-ol (PubChem CID 135038659) has the molecular formula C8H16I2O2 and a molecular weight of 398.02 g/mol. Its IUPAC name is 5-(2,3-diiodopropoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2,3-diiodopropoxy)pentan-1-ol
PubChem CID135038659
Molecular FormulaC8H16I2O2
Molecular Weight398.02 g/mol
Exact Mass397.92
IUPAC Name5-(2,3-diiodopropoxy)pentan-1-ol
SMILESOCCCCCOCC(I)CI
InChIInChI=1S/C8H16I2O2/c9-6-8(10)7-12-5-3-1-2-4-11/h8,11H,1-7H2
InChIKeyCLURZGAMAQXPPM-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.02
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diiodopropoxy)pentan-1-ol?
The IUPAC name of 5-(2,3-diiodopropoxy)pentan-1-ol (CID 135038659) is 5-(2,3-diiodopropoxy)pentan-1-ol.
What is the SMILES notation for 5-(2,3-diiodopropoxy)pentan-1-ol?
The canonical SMILES for 5-(2,3-diiodopropoxy)pentan-1-ol is OCCCCCOCC(I)CI.
What is the InChIKey of 5-(2,3-diiodopropoxy)pentan-1-ol?
The InChIKey is CLURZGAMAQXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2O2/c9-6-8(10)7-12-5-3-1-2-4-11/h8,11H,1-7H2.
What are the key properties of 5-(2,3-diiodopropoxy)pentan-1-ol?
5-(2,3-diiodopropoxy)pentan-1-ol has a molecular weight of 398.02 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diiodopropoxy)pentan-1-ol is sourced from PubChem (CID 135038659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).