2-tert-butyl-2H-pyran

C9H14O — CID 59346845

IUPAC2-tert-butyl-2H-pyran
SMILESCC(C)(C)C1C=CC=CO1
InChIInChI=1S/C9H14O/c1-9(2,3)8-6-4-5-7-10-8/h4-8H,1-3H3
InChIKeyIZRCHZZTDQHYTC-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds

About 2-tert-butyl-2H-pyran

2-tert-butyl-2H-pyran (PubChem CID 59346845) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-tert-butyl-2H-pyran.

Molecular Properties

Compound Name2-tert-butyl-2H-pyran
PubChem CID59346845
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-tert-butyl-2H-pyran
SMILESCC(C)(C)C1C=CC=CO1
InChIInChI=1S/C9H14O/c1-9(2,3)8-6-4-5-7-10-8/h4-8H,1-3H3
InChIKeyIZRCHZZTDQHYTC-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2H-pyran?
The IUPAC name of 2-tert-butyl-2H-pyran (CID 59346845) is 2-tert-butyl-2H-pyran.
What is the SMILES notation for 2-tert-butyl-2H-pyran?
The canonical SMILES for 2-tert-butyl-2H-pyran is CC(C)(C)C1C=CC=CO1.
What is the InChIKey of 2-tert-butyl-2H-pyran?
The InChIKey is IZRCHZZTDQHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2,3)8-6-4-5-7-10-8/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-2H-pyran?
2-tert-butyl-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2H-pyran is sourced from PubChem (CID 59346845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).