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2323-74-2 molecular structure
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ethyl 5-(diethoxyphosphoryl)pentanoate

ChemBase ID: 74923
Molecular Formular: C11H23O5P
Molecular Mass: 266.271081
Monoisotopic Mass: 266.12831047
SMILES and InChIs

SMILES:
P(=O)(OCC)(OCC)CCCCC(=O)OCC
Canonical SMILES:
CCOC(=O)CCCCP(=O)(OCC)OCC
InChI:
InChI=1S/C11H23O5P/c1-4-14-11(12)9-7-8-10-17(13,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKey:
BUDJSZHTNJUBIM-UHFFFAOYSA-N

Cite this record

CBID:74923 http://www.chembase.cn/molecule-74923.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-(diethoxyphosphoryl)pentanoate
IUPAC Traditional name
ethyl 5-(diethoxyphosphoryl)pentanoate
Synonyms
Ethyl 5-(diethoxyphosphoryl)pentanoate
Diethyl [4-(ethoxycarbonyl)but-1-yl]phosphonate
CAS Number
2323-74-2
MDL Number
MFCD01631209
PubChem SID
162039841
PubChem CID
2773707

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2773707 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4590185  LogD (pH = 7.4) 1.4590185 
Log P 1.4590185  Molar Refractivity 65.4213 cm3
Polarizability 26.508768 Å3 Polar Surface Area 61.83 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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