5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol

C8H16O5 — CID 166752662

IUPAC5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol
SMILESCC(C)(CO)C1OC(O)C(O)C1O
InChIInChI=1S/C8H16O5/c1-8(2,3-9)6-4(10)5(11)7(12)13-6/h4-7,9-12H,3H2,1-2H3
InChIKeyNTOJJGDDLLDLLE-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.56
Rot. Bonds2

About 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol

5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol (PubChem CID 166752662) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol
PubChem CID166752662
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol
SMILESCC(C)(CO)C1OC(O)C(O)C1O
InChIInChI=1S/C8H16O5/c1-8(2,3-9)6-4(10)5(11)7(12)13-6/h4-7,9-12H,3H2,1-2H3
InChIKeyNTOJJGDDLLDLLE-UHFFFAOYSA-N
XLogP-1.56
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol?
The IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol (CID 166752662) is 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol?
The canonical SMILES for 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol is CC(C)(CO)C1OC(O)C(O)C1O.
What is the InChIKey of 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol?
The InChIKey is NTOJJGDDLLDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-8(2,3-9)6-4(10)5(11)7(12)13-6/h4-7,9-12H,3H2,1-2H3.
What are the key properties of 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol?
5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol has a molecular weight of 192.21 g/mol, XLogP of -1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropan-2-yl)oxolane-2,3,4-triol is sourced from PubChem (CID 166752662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).