Home > Compound List > Compound details
52217-57-9 molecular structure
click picture or here to close

trimethoxy(oct-7-en-1-yl)silane

ChemBase ID: 147632
Molecular Formular: C11H24O3Si
Molecular Mass: 232.39196
Monoisotopic Mass: 232.14947116
SMILES and InChIs

SMILES:
CO[Si](CCCCCCC=C)(OC)OC
Canonical SMILES:
C=CCCCCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C11H24O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5H,1,6-11H2,2-4H3
InChIKey:
RKLXSINPXIQKIB-UHFFFAOYSA-N

Cite this record

CBID:147632 http://www.chembase.cn/molecule-147632.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethoxy(oct-7-en-1-yl)silane
IUPAC Traditional name
trimethoxy(oct-7-en-1-yl)silane
Synonyms
(7-Octen-1-yl)trimethoxysilane
Trimethoxy(7-octen-1-yl)silane
(7-辛烯-1-基)三甲氧基硅烷
三甲氧基(7-辛烯-1-基)硅烷
CAS Number
52217-57-9
MDL Number
MFCD00040026
Beilstein Number
2437131
PubChem SID
24868727
24886759
162241819
PubChem CID
104124

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 104124 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1789  LogD (pH = 7.4) 3.1789 
Log P 3.1789  Molar Refractivity 58.9115 cm3
Polarizability 25.760406 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
48-49 °C/0.1 mmHg(lit.) expand Show data source
Flash Point
201.2 °F expand Show data source
94 °C expand Show data source
Density
0.928 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.427 expand Show data source
n20/D 1.427(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥85% (GC) expand Show data source
80% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Linear Formula
H2C=CH(CH2)6Si(OCH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 452815 external link
Packaging
25 mL in poly bottle
5 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle