CAS 5455-94-7|2,2,5,5-tetramethyloxolan-3-one|3-Oxo-2,2,5,5-tetramethyltetrahydrofuran|2,2,5,5-Tetramethyldihydrofuran-3(2H)-one|2,2,5,5-tetramethyloxolan-3-one|2,2,5,5-Tetramethyloxolan-3-one|二氢-...

Molecular Formula

C₈H₁₄O₂

Molecular Mass

142.19556

Exact Mass

142.09937969

InChI

InChI=1S/C8H14O2/c1-7(2)5-6(9)8(3,4)10-7/h5H2,1-4H3

InChIKey

HWFLEGUPVIFSJN-UHFFFAOYSA-N

Canonic Smiles

O=C1CC(OC1(C)C)(C)C

Isomeric Smiles

O1C(C)(CC(=O)C1(C)C)C

JChem

Acid pKa

17.616629

H Acceptors

H Donor

LogD (pH = 5.5)

1.5691818

LogD (pH = 7.4)

1.5691818

Log P

1.5691818

Molar Refractivity

39.0527

Polarizability

15.5047455

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

138511

IUPAC name

2,2,5,5-tetramethyloxolan-3-one

Synonyms

3-Oxo-2,2,5,5-tetramethyltetrahydrofuran2,2,5,5-Tetramethyldihydrofuran-3(2H)-one2,2,5,5-Tetramethyloxolan-3-one二氢-2,2,5,5-四甲基-3(2H)-呋喃酮Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone2,2,5,5-tetramethyloxolan-3-one

IUPAC Traditional name

2,2,5,5-tetramethyloxolan-3-one

MDL Number

MFCD00009614

CAS Number

5455-94-7

PubChem SID

24858806162074264

Physical Property

Storage Warning

Flammable

Safety Statements

UN Number

1224

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RID/ADR

UN 1224 3/PG 3