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20931-50-4 molecular structure
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2,2,6,6-tetramethyloxan-4-ol

ChemBase ID: 797864
Molecular Formular: C9H18O2
Molecular Mass: 158.23802
Monoisotopic Mass: 158.13067982
SMILES and InChIs

SMILES:
O1C(CC(CC1(C)C)O)(C)C
Canonical SMILES:
OC1CC(C)(C)OC(C1)(C)C
InChI:
InChI=1S/C9H18O2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,10H,5-6H2,1-4H3
InChIKey:
DWCANAGJFMTPNA-UHFFFAOYSA-N

Cite this record

CBID:797864 http://www.chembase.cn/molecule-797864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,6,6-tetramethyloxan-4-ol
IUPAC Traditional name
2,2,6,6-tetramethyloxan-4-ol
Synonyms
2,2,6,6-Tetramethyl-tetrahydro-pyran-4-ol
CAS Number
20931-50-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9909 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9909 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.076586  H Acceptors
H Donor LogD (pH = 5.5) 0.8369124 
LogD (pH = 7.4) 0.8369124  Log P 0.8369124 
Molar Refractivity 44.8508 cm3 Polarizability 17.888466 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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