CAS 100-79-8|2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane|SOLKETAL|2,2-Dimethyl-1,3-dioxolane-4-methanol|(2,2-dimethyl-1,3-dioxolan-4-yl)methanol|DL-1,2-Isopropylideneglycerol|solketal|Isopropylidene ...

General Information

Structure

Molecular Formula

C₆H₁₂O₃

Molecular Mass

132.15768

Exact Mass

132.07864424

Charge

InChI

InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3

InChIKey

RNVYQYLELCKWAN-UHFFFAOYSA-N

Canonic Smiles

OCC1COC(O1)(C)C

Isomeric Smiles

CC1(C)OCC(CO)O1

Calculated Properties

JChem

Acid pKa

14.596533

H Acceptors

H Donor

LogD (pH = 5.5)

-0.13658941

LogD (pH = 7.4)

-0.13658944

Log P

-0.13658941

Molar Refractivity

32.7231

Polarizability

13.110614

Polar Surface Area

38.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolaneSOLKETAL2,2-Dimethyl-1,3-dioxolane-4-methanolDL-1,2-IsopropylideneglycerolIsopropylidene glycerol(±)-2,2-二甲基-4-羟甲基-1,3-二氧戊环(±)-2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolaneDL-1,2-异亚丙基甘油(±)-2,2-Dimethyl-1,3-dioxolane-4-methanol丙酮缩甘油?DL-1,2-IsopropylideneglycerolSolketal1,2-Isopropylidene-rac-glycerol(±)-2,2-二甲基-1,3-二氧戊环-4-甲醇DL-α,β-异亚丙基甘油DL-α,β-Isopropylideneglycerol2,2-二甲基-1,3-二氧戊环-4-甲醇(+/-)-2,3-O-Isopropylideneglycerol(2,2-dimethyl-1,3-dioxolan-4-yl)methanol(+/-)-2,2-Dimethyl-1,3-dioxolane-4-methanolSolketal

IUPAC name

(2,2-dimethyl-1,3-dioxolan-4-yl)methanol

IUPAC Traditional name

solketal

Names and Identifiers

Registration numbers

CAS Number

100-79-8

EC Number

202-888-7

Wikipedia Title

Solketal