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

C8H20O4 — CID 155273073

IUPACbutane;butane-1,2,3,4-tetrol
SMILESCCCC.OCC(O)C(O)CO
InChIInChI=1S/C4H10O4.C4H10/c5-1-3(7)4(8)2-6;1-3-4-2/h3-8H,1-2H2;3-4H2,1-2H3
InChIKeyXCZVGXKRYSXSFT-UHFFFAOYSA-N
MW180.24 g/mol
LogP-0.50
Rot. Bonds4

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

butane;butane-1,2,3,4-tetrol (PubChem CID 155273073) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is butane;butane-1,2,3,4-tetrol.

Molecular Properties

Compound Namebutane;butane-1,2,3,4-tetrol
PubChem CID155273073
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Namebutane;butane-1,2,3,4-tetrol
SMILESCCCC.OCC(O)C(O)CO
InChIInChI=1S/C4H10O4.C4H10/c5-1-3(7)4(8)2-6;1-3-4-2/h3-8H,1-2H2;3-4H2,1-2H3
InChIKeyXCZVGXKRYSXSFT-UHFFFAOYSA-N
XLogP-0.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
butane-1,1-diol;butane-1,2,3,4-tetrol
CID 175408326
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
pentakis((2S,3R)-butane-1,2,3,4-tetrol);propanethioic S-acid
CID 158007450
butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 18956858

Frequently Asked Questions

What is the IUPAC name of butane;butane-1,2,3,4-tetrol?
The IUPAC name of butane;butane-1,2,3,4-tetrol (CID 155273073) is butane;butane-1,2,3,4-tetrol.
What is the SMILES notation for butane;butane-1,2,3,4-tetrol?
The canonical SMILES for butane;butane-1,2,3,4-tetrol is CCCC.OCC(O)C(O)CO.
What is the InChIKey of butane;butane-1,2,3,4-tetrol?
The InChIKey is XCZVGXKRYSXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4.C4H10/c5-1-3(7)4(8)2-6;1-3-4-2/h3-8H,1-2H2;3-4H2,1-2H3.
What are the key properties of butane;butane-1,2,3,4-tetrol?
butane;butane-1,2,3,4-tetrol has a molecular weight of 180.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;butane-1,2,3,4-tetrol is sourced from PubChem (CID 155273073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).