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

C11H20O3 — CID 122448959

IUPAC2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCC1=CC(O)C(O)C(C(C)(C)C)O1
InChIInChI=1S/C11H20O3/c1-5-7-6-8(12)9(13)10(14-7)11(2,3)4/h6,8-10,12-13H,5H2,1-4H3
InChIKeyLYQLSLOKIXDERY-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds1

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

2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 122448959) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID122448959
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCC1=CC(O)C(O)C(C(C)(C)C)O1
InChIInChI=1S/C11H20O3/c1-5-7-6-8(12)9(13)10(14-7)11(2,3)4/h6,8-10,12-13H,5H2,1-4H3
InChIKeyLYQLSLOKIXDERY-UHFFFAOYSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol (CID 122448959) is 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol is CCC1=CC(O)C(O)C(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is LYQLSLOKIXDERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-6-8(12)9(13)10(14-7)11(2,3)4/h6,8-10,12-13H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol?
2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 200.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 122448959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).