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18171-19-2 molecular structure
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(3-chloropropyl)dimethoxymethylsilane

ChemBase ID: 180113
Molecular Formular: C6H15ClO2Si
Molecular Mass: 182.7206
Monoisotopic Mass: 182.05298393
SMILES and InChIs

SMILES:
[Si](OC)(OC)(C)CCCCl
Canonical SMILES:
ClCCC[Si](OC)(OC)C
InChI:
InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3
InChIKey:
KNTKCYKJRSMRMZ-UHFFFAOYSA-N

Cite this record

CBID:180113 http://www.chembase.cn/molecule-180113.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-chloropropyl)dimethoxymethylsilane
IUPAC Traditional name
(3-chloropropyl)dimethoxymethylsilane
Synonyms
3-Chloropropylmethyldimethoxysilane
CAS Number
18171-19-2
PubChem SID
164236023
PubChem CID
87491

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHS004 external link Add to cart
PubChem 87491 external link
Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 87491 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1241  LogD (pH = 7.4) 1.1241 
Log P 1.1241  Molar Refractivity 40.1109 cm3
Polarizability 17.979061 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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