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163125-34-6 molecular structure
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1,1,2,2-tetramethoxycyclohexane

ChemBase ID: 295610
Molecular Formular: C10H20O4
Molecular Mass: 204.2634
Monoisotopic Mass: 204.13615912
SMILES and InChIs

SMILES:
COC1(CCCCC1(OC)OC)OC
Canonical SMILES:
COC1(OC)CCCCC1(OC)OC
InChI:
InChI=1S/C10H20O4/c1-11-9(12-2)7-5-6-8-10(9,13-3)14-4/h5-8H2,1-4H3
InChIKey:
ZGERRGRQKXRTKD-UHFFFAOYSA-N

Cite this record

CBID:295610 http://www.chembase.cn/molecule-295610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2-tetramethoxycyclohexane
IUPAC Traditional name
1,1,2,2-tetramethoxycyclohexane
Synonyms
1,2-Cyclohexanedione bis(dimethyl acetal)
1,1,2,2-Tetramethoxycyclohexane
1,1,2,2-四甲氧基环己烷
CAS Number
163125-34-6
MDL Number
MFCD00798587
PubChem SID
180681141
PubChem CID
2733429

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 2733429 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9415249  LogD (pH = 7.4) 1.9415249 
Log P 1.9415249  Molar Refractivity 52.7972 cm3
Polarizability 21.228014 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
54°C/0.4mm expand Show data source
Density
1.064 expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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