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52373-72-5 molecular structure
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methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

ChemBase ID: 799687
Molecular Formular: C7H12O4
Molecular Mass: 160.16778
Monoisotopic Mass: 160.07355886
SMILES and InChIs

SMILES:
O1C(O[C@H](C1)C(=O)OC)(C)C
Canonical SMILES:
COC(=O)[C@H]1COC(O1)(C)C
InChI:
InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey:
DOWWCCDWPKGNGX-RXMQYKEDSA-N

Cite this record

CBID:799687 http://www.chembase.cn/molecule-799687.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
IUPAC Traditional name
methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
Synonyms
(R)-methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CAS Number
52373-72-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14623 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14623 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.32957917  LogD (pH = 7.4) 0.32957917 
Log P 0.32957917  Molar Refractivity 37.3596 cm3
Polarizability 15.146889 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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