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10233-13-3 molecular structure
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propan-2-yl dodecanoate

ChemBase ID: 287294
Molecular Formular: C15H30O2
Molecular Mass: 242.3975
Monoisotopic Mass: 242.2245802
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)OC(C)C
Canonical SMILES:
CCCCCCCCCCCC(=O)OC(C)C
InChI:
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChIKey:
UJPPXNXOEVDSRW-UHFFFAOYSA-N

Cite this record

CBID:287294 http://www.chembase.cn/molecule-287294.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-2-yl dodecanoate
IUPAC Traditional name
isopropyl laurate
Synonyms
Isopropyl dodecanoate
CAS Number
10233-13-3
MDL Number
MFCD00451146
PubChem SID
180672825
PubChem CID
25068

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD135280 Please log in.
Data Source Data ID
PubChem 25068 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.397585  LogD (pH = 7.4) 5.397585 
Log P 5.397585  Molar Refractivity 72.6161 cm3
Polarizability 29.128262 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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