3-iodo-1-(oxan-2-yl)propan-1-ol

C8H15IO2 — CID 57165332

IUPAC3-iodo-1-(oxan-2-yl)propan-1-ol
SMILESOC(CCI)C1CCCCO1
InChIInChI=1S/C8H15IO2/c9-5-4-7(10)8-3-1-2-6-11-8/h7-8,10H,1-6H2
InChIKeySZPZNDCCLPQZPQ-UHFFFAOYSA-N
MW270.11 g/mol
LogP1.74
Rot. Bonds3

About 3-iodo-1-(oxan-2-yl)propan-1-ol

3-iodo-1-(oxan-2-yl)propan-1-ol (PubChem CID 57165332) has the molecular formula C8H15IO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is 3-iodo-1-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-iodo-1-(oxan-2-yl)propan-1-ol
PubChem CID57165332
Molecular FormulaC8H15IO2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name3-iodo-1-(oxan-2-yl)propan-1-ol
SMILESOC(CCI)C1CCCCO1
InChIInChI=1S/C8H15IO2/c9-5-4-7(10)8-3-1-2-6-11-8/h7-8,10H,1-6H2
InChIKeySZPZNDCCLPQZPQ-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-2-yl)propane-1,3-diol
CID 57060644
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
bis(oxan-2-yl)methanol
CID 173021788
4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol
CID 57039358
1-(oxolan-2-yl)pent-4-en-1-ol
CID 10511102
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(oxan-2-yl)propan-1-ol?
The IUPAC name of 3-iodo-1-(oxan-2-yl)propan-1-ol (CID 57165332) is 3-iodo-1-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 3-iodo-1-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 3-iodo-1-(oxan-2-yl)propan-1-ol is OC(CCI)C1CCCCO1.
What is the InChIKey of 3-iodo-1-(oxan-2-yl)propan-1-ol?
The InChIKey is SZPZNDCCLPQZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO2/c9-5-4-7(10)8-3-1-2-6-11-8/h7-8,10H,1-6H2.
What are the key properties of 3-iodo-1-(oxan-2-yl)propan-1-ol?
3-iodo-1-(oxan-2-yl)propan-1-ol has a molecular weight of 270.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 57165332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).