3-tert-butyl-2H-pyran-2-ol

C9H14O2 — CID 175140848

IUPAC3-tert-butyl-2H-pyran-2-ol
SMILESCC(C)(C)C1=CC=COC1O
InChIInChI=1S/C9H14O2/c1-9(2,3)7-5-4-6-11-8(7)10/h4-6,8,10H,1-3H3
InChIKeyJGABUYVMMRUOHI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.82
Rot. Bonds

About 3-tert-butyl-2H-pyran-2-ol

3-tert-butyl-2H-pyran-2-ol (PubChem CID 175140848) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-tert-butyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3-tert-butyl-2H-pyran-2-ol
PubChem CID175140848
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-tert-butyl-2H-pyran-2-ol
SMILESCC(C)(C)C1=CC=COC1O
InChIInChI=1S/C9H14O2/c1-9(2,3)7-5-4-6-11-8(7)10/h4-6,8,10H,1-3H3
InChIKeyJGABUYVMMRUOHI-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

Analyze 3-tert-butyl-2H-pyran-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol
CID 57317710
3,5-dimethyl-2H-pyran-2-ol
CID 68719754
1,5-Dimethoxy-2-methylidenehexa-3,5-dien-1-ol
CID 123480180
Methoxy-(4-methylcyclohexa-1,5-dien-1-yl)methanol
CID 141874260
5-methyl-2H-pyran-2-ol
CID 149263411
3-propyl-2H-pyran-2-ol
CID 151523865
3-buta-1,3-dienyl-2H-pyran-2-ol
CID 153410661
3-butyl-2H-pyran-2-ol
CID 154019084
3-ethyl-2H-pyran-2-ol
CID 154393502
4-Tert-butyl-2-methylpyran-2-ol
CID 155759039
4,5-dimethyl-2H-pyran-2-ol
CID 173017385
5-tert-butyl-2H-pyran-2-ol
CID 175577679

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-pyran-2-ol?
The IUPAC name of 3-tert-butyl-2H-pyran-2-ol (CID 175140848) is 3-tert-butyl-2H-pyran-2-ol.
What is the SMILES notation for 3-tert-butyl-2H-pyran-2-ol?
The canonical SMILES for 3-tert-butyl-2H-pyran-2-ol is CC(C)(C)C1=CC=COC1O.
What is the InChIKey of 3-tert-butyl-2H-pyran-2-ol?
The InChIKey is JGABUYVMMRUOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2,3)7-5-4-6-11-8(7)10/h4-6,8,10H,1-3H3.
What are the key properties of 3-tert-butyl-2H-pyran-2-ol?
3-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 3-tert-butyl-2H-pyran-2-ol is sourced from PubChem (CID 175140848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).