2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol

C10H18O3 — CID 58529131

IUPAC2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC1=CC(O)C(O)C(C(C)(C)C)O1
InChIInChI=1S/C10H18O3/c1-6-5-7(11)8(12)9(13-6)10(2,3)4/h5,7-9,11-12H,1-4H3
InChIKeyMIKKGJUTQJGLHY-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.06
Rot. Bonds

About 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol

2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 58529131) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID58529131
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC1=CC(O)C(O)C(C(C)(C)C)O1
InChIInChI=1S/C10H18O3/c1-6-5-7(11)8(12)9(13-6)10(2,3)4/h5,7-9,11-12H,1-4H3
InChIKeyMIKKGJUTQJGLHY-UHFFFAOYSA-N
XLogP1.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol (CID 58529131) is 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol is CC1=CC(O)C(O)C(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is MIKKGJUTQJGLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-5-7(11)8(12)9(13-6)10(2,3)4/h5,7-9,11-12H,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol?
2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 186.25 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 58529131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).