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67-64-1 molecular structure
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4-iodo-2,2-dimethyloxane

ChemBase ID: 797995
Molecular Formular: C7H13IO
Molecular Mass: 240.08199
Monoisotopic Mass: 240.00111304
SMILES and InChIs

SMILES:
O1C(CC(CC1)I)(C)C
Canonical SMILES:
IC1CCOC(C1)(C)C
InChI:
InChI=1S/C7H13IO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5H2,1-2H3
InChIKey:
CTPMPYIKWARWDI-UHFFFAOYSA-N

Cite this record

CBID:797995 http://www.chembase.cn/molecule-797995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-iodo-2,2-dimethyloxane
IUPAC Traditional name
4-iodo-2,2-dimethyloxane
Synonyms
4-Iodo-2,2-dimethyl-tetrahydro-pyran
CAS Number
67-64-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10218 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10218 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 9.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.0063477 
LogD (pH = 7.4) 2.0063477  Log P 2.0063477 
Molar Refractivity 47.1262 cm3 Polarizability 18.645521 Å3

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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