1,1-diiodopropan-1-ol

C3H6I2O — CID 54306694

IUPAC1,1-diiodopropan-1-ol
SMILESCCC(O)(I)I
InChIInChI=1S/C3H6I2O/c1-2-3(4,5)6/h6H,2H2,1H3
InChIKeySIAKCFMZKDPEQL-UHFFFAOYSA-N
MW311.89 g/mol
LogP1.91
Rot. Bonds1

About 1,1-diiodopropan-1-ol

1,1-diiodopropan-1-ol (PubChem CID 54306694) has the molecular formula C3H6I2O and a molecular weight of 311.89 g/mol. Its IUPAC name is 1,1-diiodopropan-1-ol.

Molecular Properties

Compound Name1,1-diiodopropan-1-ol
PubChem CID54306694
Molecular FormulaC3H6I2O
Molecular Weight311.89 g/mol
Exact Mass311.85
IUPAC Name1,1-diiodopropan-1-ol
SMILESCCC(O)(I)I
InChIInChI=1S/C3H6I2O/c1-2-3(4,5)6/h6H,2H2,1H3
InChIKeySIAKCFMZKDPEQL-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.89
LogP ≤ 51.91
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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Related Compounds

(2S)-2-iodobutan-2-ol
CID 126611697
1-chloro-1-iodopropan-1-ol
CID 23322646
1,1-diiododecan-1-ol
CID 118276104
3-ethylpenta-1,4-dien-3-ol
CID 131852756
2-arsanylbutan-2-ol
CID 173005032
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
methanamine;2-methylbutan-2-ol
CID 142079467
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
CID 174377351
3-ethyl-3-(2-hydroxypropan-2-yl)-2,4-dimethylpentane-2,4-diol
CID 87908652

Frequently Asked Questions

What is the IUPAC name of 1,1-diiodopropan-1-ol?
The IUPAC name of 1,1-diiodopropan-1-ol (CID 54306694) is 1,1-diiodopropan-1-ol.
What is the SMILES notation for 1,1-diiodopropan-1-ol?
The canonical SMILES for 1,1-diiodopropan-1-ol is CCC(O)(I)I.
What is the InChIKey of 1,1-diiodopropan-1-ol?
The InChIKey is SIAKCFMZKDPEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6I2O/c1-2-3(4,5)6/h6H,2H2,1H3.
What are the key properties of 1,1-diiodopropan-1-ol?
1,1-diiodopropan-1-ol has a molecular weight of 311.89 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodopropan-1-ol is sourced from PubChem (CID 54306694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).