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319919-26-1 molecular structure
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methyl 4-(trimethylsilyl)but-3-ynoate

ChemBase ID: 801310
Molecular Formular: C8H14O2Si
Molecular Mass: 170.28106
Monoisotopic Mass: 170.07630622
SMILES and InChIs

SMILES:
C(=O)(CC#C[Si](C)(C)C)OC
Canonical SMILES:
COC(=O)CC#C[Si](C)(C)C
InChI:
InChI=1S/C8H14O2Si/c1-10-8(9)6-5-7-11(2,3)4/h6H2,1-4H3
InChIKey:
KNZPSRUJHREVNB-UHFFFAOYSA-N

Cite this record

CBID:801310 http://www.chembase.cn/molecule-801310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-(trimethylsilyl)but-3-ynoate
IUPAC Traditional name
methyl 4-(trimethylsilyl)but-3-ynoate
Synonyms
METHYL 4-(TRIMETHYLSILYL)BUT-3-YNOATE
CAS Number
319919-26-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17660 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17660 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.024  LogD (pH = 7.4) 2.024 
Log P 2.024  Molar Refractivity 40.1666 cm3
Polarizability 18.07476 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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