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95832-60-3 molecular structure
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2-(cyclopentyloxy)acetic acid

ChemBase ID: 259684
Molecular Formular: C7H12O3
Molecular Mass: 144.16838
Monoisotopic Mass: 144.07864424
SMILES and InChIs

SMILES:
C(=O)(COC1CCCC1)O
Canonical SMILES:
OC(=O)COC1CCCC1
InChI:
InChI=1S/C7H12O3/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
InChIKey:
JPUGGGCNNKXYCU-UHFFFAOYSA-N

Cite this record

CBID:259684 http://www.chembase.cn/molecule-259684.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclopentyloxy)acetic acid
IUPAC Traditional name
acetic acid, (cyclopentyloxy)-
Synonyms
2-(cyclopentyloxy)acetic acid
CAS Number
95832-60-3
MDL Number
MFCD09930082
PubChem SID
164315594
PubChem CID
13355021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-43683 external link Add to cart Please log in.
Data Source Data ID
PubChem 13355021 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.149123  H Acceptors
H Donor LogD (pH = 5.5) -0.40971413 
LogD (pH = 7.4) -2.1101854  Log P 0.9572346 
Molar Refractivity 35.5103 cm3 Polarizability 14.158536 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.081 expand Show data source
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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