2-tert-butyl-2,3-dihydropyran-4-one

C9H14O2 — CID 11378618

IUPAC2-tert-butyl-2,3-dihydropyran-4-one
SMILESCC(C)(C)C1CC(=O)C=CO1
InChIInChI=1S/C9H14O2/c1-9(2,3)8-6-7(10)4-5-11-8/h4-5,8H,6H2,1-3H3
InChIKeyILAHAEMWTSIPQJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds

About 2-tert-butyl-2,3-dihydropyran-4-one

2-tert-butyl-2,3-dihydropyran-4-one (PubChem CID 11378618) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-tert-butyl-2,3-dihydropyran-4-one
PubChem CID11378618
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-tert-butyl-2,3-dihydropyran-4-one
SMILESCC(C)(C)C1CC(=O)C=CO1
InChIInChI=1S/C9H14O2/c1-9(2,3)8-6-7(10)4-5-11-8/h4-5,8H,6H2,1-3H3
InChIKeyILAHAEMWTSIPQJ-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-tert-butyl-2,3-dihydropyran-4-one (CID 11378618) is 2-tert-butyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-tert-butyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-tert-butyl-2,3-dihydropyran-4-one is CC(C)(C)C1CC(=O)C=CO1.
What is the InChIKey of 2-tert-butyl-2,3-dihydropyran-4-one?
The InChIKey is ILAHAEMWTSIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2,3)8-6-7(10)4-5-11-8/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-tert-butyl-2,3-dihydropyran-4-one?
2-tert-butyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11378618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).