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154026-95-6 molecular structure
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[(4S,6R)-6-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl acetate

ChemBase ID: 866349
Molecular Formular: C15H26O6
Molecular Mass: 302.36334
Monoisotopic Mass: 302.17293855
SMILES and InChIs

SMILES:
O=C(OC(C)(C)C)C[C@H]1C[C@@H](COC(=O)C)OC(O1)(C)C
Canonical SMILES:
O=C(OC(C)(C)C)C[C@H]1C[C@@H](COC(=O)C)OC(O1)(C)C
InChI:
InChI=1S/C15H26O6/c1-10(16)18-9-12-7-11(19-15(5,6)20-12)8-13(17)21-14(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12+/m1/s1
InChIKey:
NGABCYSYENPREI-NEPJUHHUSA-N

Cite this record

CBID:866349 http://www.chembase.cn/molecule-866349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4S,6R)-6-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl acetate
IUPAC Traditional name
[(4S,6R)-6-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl acetate
Synonyms
(4R-Cis)-6-[(acetyloxy)Methyl]-2,2-diMethyl-1,3-dioxane-4-acetic acid,1,1-diMethylethyl ester
(4R-cis)-6-[(乙酰氧基)甲基]-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯
CAS Number
154026-95-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
T&W Pharma. TW000067 external link Add to cart
Data Source Data ID Price
T&W Pharma.
TW000067 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) 1.3391125  LogD (pH = 7.4) 1.3391125 
Log P 1.3391125  Molar Refractivity 75.7689 cm3
Polarizability 30.62362 Å3 Polar Surface Area 71.06 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

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