Home > Compound List > Compound details
210690-99-6 molecular structure
click picture or here to close

(2S,6Z,9S)-9-[(tert-butyldimethylsilyl)oxy]-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undec-6-en-1-ol

ChemBase ID: 163387
Molecular Formular: C24H45NO2SSi
Molecular Mass: 439.7701
Monoisotopic Mass: 439.29402722
SMILES and InChIs

SMILES:
c1(scc(n1)CC([C@H](C/C=C(/C)\CCC[C@@H](CO)C)O[Si](C)(C)C(C)(C)C)C)C
Canonical SMILES:
OC[C@H](CCC/C(=C\C[C@@H](C(Cc1csc(n1)C)C)O[Si](C(C)(C)C)(C)C)/C)C
InChI:
InChI=1S/C24H45NO2SSi/c1-18(11-10-12-19(2)16-26)13-14-23(27-29(8,9)24(5,6)7)20(3)15-22-17-28-21(4)25-22/h13,17,19-20,23,26H,10-12,14-16H2,1-9H3/b18-13-/t19-,20?,23-/m0/s1
InChIKey:
DZTZTHPQCQSHKT-SBNDYQLOSA-N

Cite this record

CBID:163387 http://www.chembase.cn/molecule-163387.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,6Z,9S)-9-[(tert-butyldimethylsilyl)oxy]-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undec-6-en-1-ol
IUPAC Traditional name
(2S,6Z,9S)-9-[(tert-butyldimethylsilyl)oxy]-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undec-6-en-1-ol
Synonyms
(2S,6Z,9S,10E)-9-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,6,10-trimethyl-11-(2-methyl-4-thiazolyl)-6,10-undecadien-1-ol
(+)-(2S,6Z,9S,10E)-9-{[tert-Butyl(dimethyl)silyl]oxy}-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)-undeca-6,10-dien-1-ol
CAS Number
210690-99-6
PubChem SID
162257522
PubChem CID
46783568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B691605 external link Add to cart
PubChem 46783568 external link
Data Source Data ID Price
TRC
B691605 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783568 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.418316  H Acceptors
H Donor LogD (pH = 5.5) 5.7994103 
LogD (pH = 7.4) 5.8023624  Log P 5.8024 
Molar Refractivity 124.1226 cm3 Polarizability 50.611404 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethanol expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Toluene expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

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