1,1,2,2,3-pentaiodopropan-1-ol

C3H3I5O — CID 141015392

IUPAC1,1,2,2,3-pentaiodopropan-1-ol
SMILESOC(I)(I)C(I)(I)CI
InChIInChI=1S/C3H3I5O/c4-1-2(5,6)3(7,8)9/h9H,1H2
InChIKeyFMFPLJLIJQLDPP-UHFFFAOYSA-N
MW689.58 g/mol
LogP3.50
Rot. Bonds2

About 1,1,2,2,3-pentaiodopropan-1-ol

1,1,2,2,3-pentaiodopropan-1-ol (PubChem CID 141015392) has the molecular formula C3H3I5O and a molecular weight of 689.58 g/mol. Its IUPAC name is 1,1,2,2,3-pentaiodopropan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3-pentaiodopropan-1-ol
PubChem CID141015392
Molecular FormulaC3H3I5O
Molecular Weight689.58 g/mol
Exact Mass689.54
IUPAC Name1,1,2,2,3-pentaiodopropan-1-ol
SMILESOC(I)(I)C(I)(I)CI
InChIInChI=1S/C3H3I5O/c4-1-2(5,6)3(7,8)9/h9H,1H2
InChIKeyFMFPLJLIJQLDPP-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,2,2,3-pentaiodopropan-1-ol?
The IUPAC name of 1,1,2,2,3-pentaiodopropan-1-ol (CID 141015392) is 1,1,2,2,3-pentaiodopropan-1-ol.
What is the SMILES notation for 1,1,2,2,3-pentaiodopropan-1-ol?
The canonical SMILES for 1,1,2,2,3-pentaiodopropan-1-ol is OC(I)(I)C(I)(I)CI.
What is the InChIKey of 1,1,2,2,3-pentaiodopropan-1-ol?
The InChIKey is FMFPLJLIJQLDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3I5O/c4-1-2(5,6)3(7,8)9/h9H,1H2.
What are the key properties of 1,1,2,2,3-pentaiodopropan-1-ol?
1,1,2,2,3-pentaiodopropan-1-ol has a molecular weight of 689.58 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentaiodopropan-1-ol is sourced from PubChem (CID 141015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).