4-hydroperoxybutane-1,1,2,2-tetrol

C4H10O6 — CID 155629719

IUPAC4-hydroperoxybutane-1,1,2,2-tetrol
SMILESOOCCC(O)(O)C(O)O
InChIInChI=1S/C4H10O6/c5-3(6)4(7,8)1-2-10-9/h3,5-9H,1-2H2
InChIKeyUQZDKVZMYUNFPC-UHFFFAOYSA-N
MW154.12 g/mol
LogP-2.14
Rot. Bonds4

About 4-hydroperoxybutane-1,1,2,2-tetrol

4-hydroperoxybutane-1,1,2,2-tetrol (PubChem CID 155629719) has the molecular formula C4H10O6 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-hydroperoxybutane-1,1,2,2-tetrol.

Molecular Properties

Compound Name4-hydroperoxybutane-1,1,2,2-tetrol
PubChem CID155629719
Molecular FormulaC4H10O6
Molecular Weight154.12 g/mol
Exact Mass154.05
IUPAC Name4-hydroperoxybutane-1,1,2,2-tetrol
SMILESOOCCC(O)(O)C(O)O
InChIInChI=1S/C4H10O6/c5-3(6)4(7,8)1-2-10-9/h3,5-9H,1-2H2
InChIKeyUQZDKVZMYUNFPC-UHFFFAOYSA-N
XLogP-2.14
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 4-hydroperoxybutane-1,1,2,2-tetrol?
The IUPAC name of 4-hydroperoxybutane-1,1,2,2-tetrol (CID 155629719) is 4-hydroperoxybutane-1,1,2,2-tetrol.
What is the SMILES notation for 4-hydroperoxybutane-1,1,2,2-tetrol?
The canonical SMILES for 4-hydroperoxybutane-1,1,2,2-tetrol is OOCCC(O)(O)C(O)O.
What is the InChIKey of 4-hydroperoxybutane-1,1,2,2-tetrol?
The InChIKey is UQZDKVZMYUNFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6/c5-3(6)4(7,8)1-2-10-9/h3,5-9H,1-2H2.
What are the key properties of 4-hydroperoxybutane-1,1,2,2-tetrol?
4-hydroperoxybutane-1,1,2,2-tetrol has a molecular weight of 154.12 g/mol, XLogP of -2.14, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxybutane-1,1,2,2-tetrol is sourced from PubChem (CID 155629719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).