1-(1-hydroxypropoxyperoxy)propan-1-ol

C6H14O5 — CID 87132582

IUPAC1-(1-hydroxypropoxyperoxy)propan-1-ol
SMILESCCC(O)OOOC(O)CC
InChIInChI=1S/C6H14O5/c1-3-5(7)9-11-10-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyHOLVGVXFWMPQHC-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.32
Rot. Bonds6

About 1-(1-hydroxypropoxyperoxy)propan-1-ol

1-(1-hydroxypropoxyperoxy)propan-1-ol (PubChem CID 87132582) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(1-hydroxypropoxyperoxy)propan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxypropoxyperoxy)propan-1-ol
PubChem CID87132582
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name1-(1-hydroxypropoxyperoxy)propan-1-ol
SMILESCCC(O)OOOC(O)CC
InChIInChI=1S/C6H14O5/c1-3-5(7)9-11-10-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyHOLVGVXFWMPQHC-UHFFFAOYSA-N
XLogP0.32
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropoxyperoxy)propan-1-ol?
The IUPAC name of 1-(1-hydroxypropoxyperoxy)propan-1-ol (CID 87132582) is 1-(1-hydroxypropoxyperoxy)propan-1-ol.
What is the SMILES notation for 1-(1-hydroxypropoxyperoxy)propan-1-ol?
The canonical SMILES for 1-(1-hydroxypropoxyperoxy)propan-1-ol is CCC(O)OOOC(O)CC.
What is the InChIKey of 1-(1-hydroxypropoxyperoxy)propan-1-ol?
The InChIKey is HOLVGVXFWMPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5/c1-3-5(7)9-11-10-6(8)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1-hydroxypropoxyperoxy)propan-1-ol?
1-(1-hydroxypropoxyperoxy)propan-1-ol has a molecular weight of 166.17 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropoxyperoxy)propan-1-ol is sourced from PubChem (CID 87132582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).