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41375-88-6 molecular structure
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3-(16-methylheptadecyl)oxolane-2,5-dione

ChemBase ID: 112351
Molecular Formular: C22H40O3
Molecular Mass: 352.5512
Monoisotopic Mass: 352.29774514
SMILES and InChIs

SMILES:
CC(C)CCCCCCCCCCCCCCCC1CC(=O)OC1=O
Canonical SMILES:
CC(CCCCCCCCCCCCCCCC1CC(=O)OC1=O)C
InChI:
InChI=1S/C22H40O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h19-20H,3-18H2,1-2H3
InChIKey:
XRAJHWOOOMPDFP-UHFFFAOYSA-N

Cite this record

CBID:112351 http://www.chembase.cn/molecule-112351.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(16-methylheptadecyl)oxolane-2,5-dione
IUPAC Traditional name
3-(16-methylheptadecyl)oxolane-2,5-dione
Synonyms
ISOOCTADECYL SUCCINIC ANHYDRIDE
CAS Number
41375-88-6
PubChem SID
162098178
PubChem CID
536991

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05223595 external link Add to cart Please log in.
Data Source Data ID
PubChem 536991 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 43.37 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 7.678793 
LogD (pH = 7.4) 7.678793  Log P 7.678793 
Molar Refractivity 103.0707 cm3 Polarizability 41.3596 Å3

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05223595 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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