butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

C10H24O7 — CID 18956858

IUPACbutane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CO.OCC(O)C(O)CO
InChIInChI=1S/C6H14O3.C4H10O4/c1-2-6(3-7,4-8)5-9;5-1-3(7)4(8)2-6/h7-9H,2-5H2,1H3;3-8H,1-2H2
InChIKeyDMLLXIMTVWYHOD-UHFFFAOYSA-N
MW256.29 g/mol
LogP-2.95
Rot. Bonds7

About butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 18956858) has the molecular formula C10H24O7 and a molecular weight of 256.29 g/mol. Its IUPAC name is butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Namebutane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID18956858
Molecular FormulaC10H24O7
Molecular Weight256.29 g/mol
Exact Mass256.15
IUPAC Namebutane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CO.OCC(O)C(O)CO
InChIInChI=1S/C6H14O3.C4H10O4/c1-2-6(3-7,4-8)5-9;5-1-3(7)4(8)2-6/h7-9H,2-5H2,1H3;3-8H,1-2H2
InChIKeyDMLLXIMTVWYHOD-UHFFFAOYSA-N
XLogP-2.95
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.29
LogP ≤ 5-2.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
CID 87987203
CID 87987203
2,2-dimethylpropane-1,1-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane-1,2,3-triol
CID 18620333
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethioic S-acid
CID 157469832
butane;butane-1,2,3,4-tetrol
CID 155273073
2,2-bis(hydroxymethyl)propane-1,3-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87333219
2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,4-diol;(2R,3R)-butane-1,2,3,4-tetrol;ethanol;hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 174809797
pentane-1,2,3-triol
CID 547785
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
(2S,3S)-pentane-1,2,3-triol
CID 11636797

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 18956858) is butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is CCC(CO)(CO)CO.OCC(O)C(O)CO.
What is the InChIKey of butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is DMLLXIMTVWYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H10O4/c1-2-6(3-7,4-8)5-9;5-1-3(7)4(8)2-6/h7-9H,2-5H2,1H3;3-8H,1-2H2.
What are the key properties of butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 256.29 g/mol, XLogP of -2.95, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 18956858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).