3-tert-butyl-2,3-dihydropyran-6-one

C9H14O2 — CID 162773146

IUPAC3-tert-butyl-2,3-dihydropyran-6-one
SMILESCC(C)(C)C1C=CC(=O)OC1
InChIInChI=1S/C9H14O2/c1-9(2,3)7-4-5-8(10)11-6-7/h4-5,7H,6H2,1-3H3
InChIKeyQZLVMBGSDWDLKG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds

About 3-tert-butyl-2,3-dihydropyran-6-one

3-tert-butyl-2,3-dihydropyran-6-one (PubChem CID 162773146) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-tert-butyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-tert-butyl-2,3-dihydropyran-6-one
PubChem CID162773146
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-tert-butyl-2,3-dihydropyran-6-one
SMILESCC(C)(C)C1C=CC(=O)OC1
InChIInChI=1S/C9H14O2/c1-9(2,3)7-4-5-8(10)11-6-7/h4-5,7H,6H2,1-3H3
InChIKeyQZLVMBGSDWDLKG-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
3-ethynyl-2,3-dihydropyran-6-one
CID 89442225
(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one
CID 148524434
3-butan-2-yl-2,3-dihydropyran-6-one
CID 123659399
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
3-tert-butyl-3,6-dihydro-2H-pyran-6-amine
CID 91615509
2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid
CID 149222852
1-(4-tert-butylcyclohexa-1,5-dien-1-yl)ethanone
CID 10856047
2-(tert-butylamino)-2H-furan-5-one
CID 18520736
6-tert-butyl-6,7-dihydro-2,1,3-benzoxadiazole
CID 143068947
(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 56590637
2-methyl-2-(4-oxocyclopent-2-en-1-yl)propanenitrile
CID 13225812

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,3-dihydropyran-6-one?
The IUPAC name of 3-tert-butyl-2,3-dihydropyran-6-one (CID 162773146) is 3-tert-butyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-tert-butyl-2,3-dihydropyran-6-one?
The canonical SMILES for 3-tert-butyl-2,3-dihydropyran-6-one is CC(C)(C)C1C=CC(=O)OC1.
What is the InChIKey of 3-tert-butyl-2,3-dihydropyran-6-one?
The InChIKey is QZLVMBGSDWDLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2,3)7-4-5-8(10)11-6-7/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-tert-butyl-2,3-dihydropyran-6-one?
3-tert-butyl-2,3-dihydropyran-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 162773146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).