5-tert-butyl-2H-pyran-2-ol

C9H14O2 — CID 175577679

IUPAC5-tert-butyl-2H-pyran-2-ol
SMILESCC(C)(C)C1=COC(O)C=C1
InChIInChI=1S/C9H14O2/c1-9(2,3)7-4-5-8(10)11-6-7/h4-6,8,10H,1-3H3
InChIKeyMRYASIXUZCYXHH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.82
Rot. Bonds

About 5-tert-butyl-2H-pyran-2-ol

5-tert-butyl-2H-pyran-2-ol (PubChem CID 175577679) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-tert-butyl-2H-pyran-2-ol.

Molecular Properties

Compound Name5-tert-butyl-2H-pyran-2-ol
PubChem CID175577679
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-tert-butyl-2H-pyran-2-ol
SMILESCC(C)(C)C1=COC(O)C=C1
InChIInChI=1S/C9H14O2/c1-9(2,3)7-4-5-8(10)11-6-7/h4-6,8,10H,1-3H3
InChIKeyMRYASIXUZCYXHH-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-pyran-2-ol?
The IUPAC name of 5-tert-butyl-2H-pyran-2-ol (CID 175577679) is 5-tert-butyl-2H-pyran-2-ol.
What is the SMILES notation for 5-tert-butyl-2H-pyran-2-ol?
The canonical SMILES for 5-tert-butyl-2H-pyran-2-ol is CC(C)(C)C1=COC(O)C=C1.
What is the InChIKey of 5-tert-butyl-2H-pyran-2-ol?
The InChIKey is MRYASIXUZCYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2,3)7-4-5-8(10)11-6-7/h4-6,8,10H,1-3H3.
What are the key properties of 5-tert-butyl-2H-pyran-2-ol?
5-tert-butyl-2H-pyran-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-pyran-2-ol is sourced from PubChem (CID 175577679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).