Home > Compound List > Compound details
132616-34-3 molecular structure
click picture or here to close

2,6-diethyl spiro[3.3]heptane-2,6-dicarboxylate

ChemBase ID: 65324
Molecular Formular: C13H20O4
Molecular Mass: 240.2955
Monoisotopic Mass: 240.13615912
SMILES and InChIs

SMILES:
C12(CC(C1)C(=O)OCC)CC(C2)C(=O)OCC
Canonical SMILES:
CCOC(=O)C1CC2(C1)CC(C2)C(=O)OCC
InChI:
InChI=1S/C13H20O4/c1-3-16-11(14)9-5-13(6-9)7-10(8-13)12(15)17-4-2/h9-10H,3-8H2,1-2H3
InChIKey:
GNJWXXQQMIJNDT-UHFFFAOYSA-N

Cite this record

CBID:65324 http://www.chembase.cn/molecule-65324.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-diethyl spiro[3.3]heptane-2,6-dicarboxylate
IUPAC Traditional name
2,6-diethyl spiro[3.3]heptane-2,6-dicarboxylate
Synonyms
Spiro[3.3]heptane-2,6-dicarboxylic acid diethyl ester
CAS Number
132616-34-3
MDL Number
MFCD18432786
PubChem SID
162031063
PubChem CID
14792590

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070660 external link Add to cart Please log in.
Data Source Data ID
PubChem 14792590 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7970767  LogD (pH = 7.4) 1.7970767 
Log P 1.7970767  Molar Refractivity 61.7417 cm3
Polarizability 24.785782 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle