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76924-94-2 molecular structure
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ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate

ChemBase ID: 168525
Molecular Formular: C10H18O4
Molecular Mass: 202.24752
Monoisotopic Mass: 202.12050906
SMILES and InChIs

SMILES:
C(=O)(CC1(CCC)OCCO1)OCC
Canonical SMILES:
CCOC(=O)CC1(CCC)OCCO1
InChI:
InChI=1S/C10H18O4/c1-3-5-10(13-6-7-14-10)8-9(11)12-4-2/h3-8H2,1-2H3
InChIKey:
AXNPDRYPXSHROR-UHFFFAOYSA-N

Cite this record

CBID:168525 http://www.chembase.cn/molecule-168525.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
IUPAC Traditional name
ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
Synonyms
2-Propyl-1,3-dioxolane-2-acetic Acid Ethyl Ester
(2-Propyl-1,3-dioxolan-2-yl)acetic Acid Ethyl Ester
3,3-Ethylenedioxyhexanoic Acid Ethyl Ester
Ethyl 3-(1,3-Dioxolane)hexanoate
CAS Number
76924-94-2
PubChem SID
162262657
PubChem CID
14505110

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E917075 external link Add to cart
PubChem 14505110 external link
Data Source Data ID Price
TRC
E917075 external link Add to cart Please log in.
Data Source Data ID
PubChem 14505110 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7791296  LogD (pH = 7.4) 1.7791296 
Log P 1.7791296  Molar Refractivity 51.2179 cm3
Polarizability 20.618595 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
Apperance
Colourless Viscous Liquid 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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INTERNET

INTERNET

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