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10602-37-6 molecular structure
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1,1,3,3-tetraethoxy-2-methylpropane

ChemBase ID: 259638
Molecular Formular: C12H26O4
Molecular Mass: 234.33244
Monoisotopic Mass: 234.18310931
SMILES and InChIs

SMILES:
C(C(OCC)OCC)(C(OCC)OCC)C
Canonical SMILES:
CCOC(C(C(OCC)OCC)C)OCC
InChI:
InChI=1S/C12H26O4/c1-6-13-11(14-7-2)10(5)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
InChIKey:
XTYLJMKJLMHFJK-UHFFFAOYSA-N

Cite this record

CBID:259638 http://www.chembase.cn/molecule-259638.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,3,3-tetraethoxy-2-methylpropane
IUPAC Traditional name
1,1,3,3-tetraethoxy-2-methylpropane
Synonyms
1,1,3,3-tetraethoxy-2-methylpropane
CAS Number
10602-37-6
MDL Number
MFCD00541470
PubChem SID
164315548
PubChem CID
82761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-43613 external link Add to cart Please log in.
Data Source Data ID
PubChem 82761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.244367  LogD (pH = 7.4) 2.244367 
Log P 2.244367  Molar Refractivity 63.6876 cm3
Polarizability 25.613474 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.042 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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