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15359-98-5 molecular structure
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1-(tert-butoxy)-4-methylbenzene

ChemBase ID: 180075
Molecular Formular: C11H16O
Molecular Mass: 164.24414
Monoisotopic Mass: 164.12011513
SMILES and InChIs

SMILES:
c1(ccc(cc1)OC(C)(C)C)C
Canonical SMILES:
Cc1ccc(cc1)OC(C)(C)C
InChI:
InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)12-11(2,3)4/h5-8H,1-4H3
InChIKey:
FETIWDPIODONQB-UHFFFAOYSA-N

Cite this record

CBID:180075 http://www.chembase.cn/molecule-180075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(tert-butoxy)-4-methylbenzene
IUPAC Traditional name
1-(tert-butoxy)-4-methylbenzene
Synonyms
4-tert-butyloxytoluene
CAS Number
15359-98-5
PubChem SID
164235985
PubChem CID
139926

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHB55011 external link Add to cart
PubChem 139926 external link
Data Source Data ID Price
Chemik
CHB55011 external link Add to cart Please log in.
Data Source Data ID
PubChem 139926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3829556  LogD (pH = 7.4) 3.3829556 
Log P 3.3829556  Molar Refractivity 51.368 cm3
Polarizability 20.163149 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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