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24904-11-8 molecular structure
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1-[bis(decyloxy)methoxy]decane

ChemBase ID: 112153
Molecular Formular: C31H64O3
Molecular Mass: 484.83806
Monoisotopic Mass: 484.48554591
SMILES and InChIs

SMILES:
CCCCCCCCCCOC(OCCCCCCCCCC)OCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCOC(OCCCCCCCCCC)OCCCCCCCCCC
InChI:
InChI=1S/C31H64O3/c1-4-7-10-13-16-19-22-25-28-32-31(33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h31H,4-30H2,1-3H3
InChIKey:
CNSJQNJSRMMTIC-UHFFFAOYSA-N

Cite this record

CBID:112153 http://www.chembase.cn/molecule-112153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[bis(decyloxy)methoxy]decane
IUPAC Traditional name
1-[bis(decyloxy)methoxy]decane
Synonyms
TRIDECYLORTHOFORMATE
CAS Number
24904-11-8
PubChem SID
162098138
PubChem CID
25022238

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05222752 external link Add to cart Please log in.
Data Source Data ID
PubChem 25022238 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 12.717375  LogD (pH = 7.4) 12.717375 
Log P 12.717375  Molar Refractivity 149.7772 cm3
Polarizability 59.9452 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 30  Lipinski's Rule of Five false 

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 - 05222752 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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