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162103818 molecular structure
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1,1-diethoxypentane

ChemBase ID: 71652
Molecular Formular: C9H20O2
Molecular Mass: 160.2539
Monoisotopic Mass: 160.14632988
SMILES and InChIs

SMILES:
C(CCC(OCC)OCC)C
Canonical SMILES:
CCCCC(OCC)OCC
InChI:
InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
InChIKey:
XCWKYQWOLSOBCC-UHFFFAOYSA-N

Cite this record

CBID:71652 http://www.chembase.cn/molecule-71652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1-diethoxypentane
IUPAC Traditional name
1,1-diethoxypentane
Synonyms
1,1-Diethoxypentane
PubChem SID
162103818
PubChem CID
77223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 77223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6568341  LogD (pH = 7.4) 2.6568341 
Log P 2.6568341  Molar Refractivity 46.8758 cm3
Polarizability 18.688713 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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