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83680-34-6 molecular structure
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(3S)-3-(oxan-2-yloxy)oxolan-2-one

ChemBase ID: 167730
Molecular Formular: C9H14O4
Molecular Mass: 186.20506
Monoisotopic Mass: 186.08920893
SMILES and InChIs

SMILES:
C1C[C@@H](C(=O)O1)OC1OCCCC1
Canonical SMILES:
O=C1OCC[C@@H]1OC1CCCCO1
InChI:
InChI=1S/C9H14O4/c10-9-7(4-6-12-9)13-8-3-1-2-5-11-8/h7-8H,1-6H2/t7-,8?/m0/s1
InChIKey:
HGZRWCHDGAWZQT-JAMMHHFISA-N

Cite this record

CBID:167730 http://www.chembase.cn/molecule-167730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-(oxan-2-yloxy)oxolan-2-one
IUPAC Traditional name
(3S)-3-(oxan-2-yloxy)oxolan-2-one
Synonyms
3-[(Tetrahydro-2H-pyran-2-yl)oxy]-2(3H)-dihydrofuranone
(3S)-Dihydro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2(3H)-furanone
CAS Number
83680-34-6
PubChem SID
162261863
PubChem CID
11672802

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D449800 external link Add to cart
PubChem 11672802 external link
Data Source Data ID Price
TRC
D449800 external link Add to cart Please log in.
Data Source Data ID
PubChem 11672802 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7493851  LogD (pH = 7.4) 0.7493851 
Log P 0.7493851  Molar Refractivity 44.5414 cm3
Polarizability 18.082905 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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