Home > Compound List > Compound details
5736-06-1 molecular structure
click picture or here to close

2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

ChemBase ID: 289272
Molecular Formular: C6H10O4
Molecular Mass: 146.1412
Monoisotopic Mass: 146.0579088
SMILES and InChIs

SMILES:
O=C(C1OC(C)(C)OC1)O
Canonical SMILES:
OC(=O)C1COC(O1)(C)C
InChI:
InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKey:
OZPFVBLDYBXHAF-UHFFFAOYSA-N

Cite this record

CBID:289272 http://www.chembase.cn/molecule-289272.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
IUPAC Traditional name
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
Synonyms
2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CAS Number
5736-06-1
MDL Number
MFCD09743879
PubChem SID
180674803
PubChem CID
10909699

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD21828 Please log in.
Data Source Data ID
PubChem 10909699 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6922863  H Acceptors
H Donor LogD (pH = 5.5) -1.6225737 
LogD (pH = 7.4) -3.1248796  Log P 0.18368512 
Molar Refractivity 32.5905 cm3 Polarizability 13.101962 Å3
Polar Surface Area 55.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle