butane-1,2,3,4-tetrol

C4H10O4 — CID 8998

IUPACbutane-1,2,3,4-tetrol
SMILESOCC(O)C(O)CO
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
InChIKeyUNXHWFMMPAWVPI-UHFFFAOYSA-N
MW122.12 g/mol
LogP-2.31
Rot. Bonds3

About butane-1,2,3,4-tetrol

butane-1,2,3,4-tetrol (PubChem CID 8998) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is butane-1,2,3,4-tetrol.

Molecular Properties

Compound Namebutane-1,2,3,4-tetrol
PubChem CID8998
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Namebutane-1,2,3,4-tetrol
SMILESOCC(O)C(O)CO
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
InChIKeyUNXHWFMMPAWVPI-UHFFFAOYSA-N
XLogP-2.31
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetrol?
The IUPAC name of butane-1,2,3,4-tetrol (CID 8998) is butane-1,2,3,4-tetrol.
What is the SMILES notation for butane-1,2,3,4-tetrol?
The canonical SMILES for butane-1,2,3,4-tetrol is OCC(O)C(O)CO.
What is the InChIKey of butane-1,2,3,4-tetrol?
The InChIKey is UNXHWFMMPAWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2.
What are the key properties of butane-1,2,3,4-tetrol?
butane-1,2,3,4-tetrol has a molecular weight of 122.12 g/mol, XLogP of -2.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetrol is sourced from PubChem (CID 8998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).