2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol

C9H16O4 — CID 59584432

IUPAC2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)(C)OC1OC=CC(O)C1O
InChIInChI=1S/C9H16O4/c1-9(2,3)13-8-7(11)6(10)4-5-12-8/h4-8,10-11H,1-3H3
InChIKeyQFQFRUKXZSRPDM-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.39
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol

2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 59584432) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID59584432
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)(C)OC1OC=CC(O)C1O
InChIInChI=1S/C9H16O4/c1-9(2,3)13-8-7(11)6(10)4-5-12-8/h4-8,10-11H,1-3H3
InChIKeyQFQFRUKXZSRPDM-UHFFFAOYSA-N
XLogP0.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol (CID 59584432) is 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol is CC(C)(C)OC1OC=CC(O)C1O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is QFQFRUKXZSRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2,3)13-8-7(11)6(10)4-5-12-8/h4-8,10-11H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol?
2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 188.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 59584432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).