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763-13-3 molecular structure
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but-3-en-1-yltrimethylsilane

ChemBase ID: 92466
Molecular Formular: C7H16Si
Molecular Mass: 128.28744
Monoisotopic Mass: 128.10212704
SMILES and InChIs

SMILES:
[Si](CCC=C)(C)(C)C
Canonical SMILES:
C=CCC[Si](C)(C)C
InChI:
InChI=1S/C7H16Si/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKey:
QZGSLTWDWCYCME-UHFFFAOYSA-N

Cite this record

CBID:92466 http://www.chembase.cn/molecule-92466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
but-3-en-1-yltrimethylsilane
IUPAC Traditional name
but-3-en-1-yltrimethylsilane
Synonyms
4-(Trimethylsilyl)but-1-ene 97%
CAS Number
763-13-3
MDL Number
MFCD00054880
PubChem SID
162079164
PubChem CID
262843

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 262843 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1568  LogD (pH = 7.4) 3.1568 
Log P 3.1568  Molar Refractivity 36.1633 cm3
Polarizability 16.346237 Å3 Polar Surface Area 0.0 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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