3-hydroperoxypropan-1-ol

C3H8O3 — CID 14819039

IUPAC3-hydroperoxypropan-1-ol
SMILESOCCCOO
InChIInChI=1S/C3H8O3/c4-2-1-3-6-5/h4-5H,1-3H2
InChIKeyLTKFKDLZMYUGKU-UHFFFAOYSA-N
MW92.09 g/mol
LogP-0.14
Rot. Bonds3

About 3-hydroperoxypropan-1-ol

3-hydroperoxypropan-1-ol (PubChem CID 14819039) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is 3-hydroperoxypropan-1-ol.

Molecular Properties

Compound Name3-hydroperoxypropan-1-ol
PubChem CID14819039
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Name3-hydroperoxypropan-1-ol
SMILESOCCCOO
InChIInChI=1S/C3H8O3/c4-2-1-3-6-5/h4-5H,1-3H2
InChIKeyLTKFKDLZMYUGKU-UHFFFAOYSA-N
XLogP-0.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,3-Propanediol
CID 10442
(~13~C_3_)Propane-1,3-diol
CID 71309239
Propane-1,1,1,3-tetrol
CID 20476267
1,2-Ethane-(2H4)diol
CID 12201648
Propane-1,3-diol, sodium salt
CID 23678824
Propan-1-ol;dihydrate
CID 90657088
1,3-Propane-2,2-d2-diol
CID 12201647
3-Propanediol hydrochloride
CID 22174387
Propanol water
CID 22595341
1,3-Propane-d6-diol
CID 57882501
CID 123931782
CID 123931782
1-Deuterio-1,3-propanediol
CID 129674498

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxypropan-1-ol?
The IUPAC name of 3-hydroperoxypropan-1-ol (CID 14819039) is 3-hydroperoxypropan-1-ol.
What is the SMILES notation for 3-hydroperoxypropan-1-ol?
The canonical SMILES for 3-hydroperoxypropan-1-ol is OCCCOO.
What is the InChIKey of 3-hydroperoxypropan-1-ol?
The InChIKey is LTKFKDLZMYUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c4-2-1-3-6-5/h4-5H,1-3H2.
What are the key properties of 3-hydroperoxypropan-1-ol?
3-hydroperoxypropan-1-ol has a molecular weight of 92.09 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxypropan-1-ol is sourced from PubChem (CID 14819039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).