Home > Compound List > Compound details
4351-11-5 molecular structure
click picture or here to close

4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane

ChemBase ID: 281254
Molecular Formular: C6H11IO2
Molecular Mass: 242.05481
Monoisotopic Mass: 241.98037759
SMILES and InChIs

SMILES:
C1(OC(CO1)CI)(C)C
Canonical SMILES:
ICC1COC(O1)(C)C
InChI:
InChI=1S/C6H11IO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey:
BBKBPYFNBFEICG-UHFFFAOYSA-N

Cite this record

CBID:281254 http://www.chembase.cn/molecule-281254.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
IUPAC Traditional name
4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
Synonyms
4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
CAS Number
4351-11-5
MDL Number
MFCD09833340
PubChem SID
180666785
PubChem CID
11139278

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-88570 external link Add to cart Please log in.
Data Source Data ID
PubChem 11139278 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.677868  LogD (pH = 7.4) 1.677868 
Log P 1.677868  Molar Refractivity 44.1603 cm3
Polarizability 17.645042 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.202 expand Show data source
Purity
95% 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