4-tert-butyl-2-methylpyran-2-ol

C10H16O2 — CID 155759039

IUPAC4-tert-butyl-2-methylpyran-2-ol
SMILESCC1(O)C=C(C(C)(C)C)C=CO1
InChIInChI=1S/C10H16O2/c1-9(2,3)8-5-6-12-10(4,11)7-8/h5-7,11H,1-4H3
InChIKeyKXQPEZXDQMWANB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.21
Rot. Bonds

About 4-tert-butyl-2-methylpyran-2-ol

4-tert-butyl-2-methylpyran-2-ol (PubChem CID 155759039) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-tert-butyl-2-methylpyran-2-ol.

Molecular Properties

Compound Name4-tert-butyl-2-methylpyran-2-ol
PubChem CID155759039
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-tert-butyl-2-methylpyran-2-ol
SMILESCC1(O)C=C(C(C)(C)C)C=CO1
InChIInChI=1S/C10H16O2/c1-9(2,3)8-5-6-12-10(4,11)7-8/h5-7,11H,1-4H3
InChIKeyKXQPEZXDQMWANB-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylpyran-2-ol?
The IUPAC name of 4-tert-butyl-2-methylpyran-2-ol (CID 155759039) is 4-tert-butyl-2-methylpyran-2-ol.
What is the SMILES notation for 4-tert-butyl-2-methylpyran-2-ol?
The canonical SMILES for 4-tert-butyl-2-methylpyran-2-ol is CC1(O)C=C(C(C)(C)C)C=CO1.
What is the InChIKey of 4-tert-butyl-2-methylpyran-2-ol?
The InChIKey is KXQPEZXDQMWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2,3)8-5-6-12-10(4,11)7-8/h5-7,11H,1-4H3.
What are the key properties of 4-tert-butyl-2-methylpyran-2-ol?
4-tert-butyl-2-methylpyran-2-ol has a molecular weight of 168.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylpyran-2-ol is sourced from PubChem (CID 155759039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).