Home > Compound List > Compound details
1118-39-4 molecular structure
click picture or here to close

2-methyl-6-methylideneoct-7-en-2-yl acetate

ChemBase ID: 111871
Molecular Formular: C12H20O2
Molecular Mass: 196.286
Monoisotopic Mass: 196.14632988
SMILES and InChIs

SMILES:
CC(=O)OC(C)(C)CCCC(=C)C=C
Canonical SMILES:
C=CC(=C)CCCC(OC(=O)C)(C)C
InChI:
InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3
InChIKey:
DCXXKSXLKWAZNO-UHFFFAOYSA-N

Cite this record

CBID:111871 http://www.chembase.cn/molecule-111871.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-methylideneoct-7-en-2-yl acetate
IUPAC Traditional name
2-methyl-6-methylideneoct-7-en-2-yl acetate
Synonyms
PSEUDOLINALYL ACETATE
CAS Number
1118-39-4
PubChem SID
162097174
PubChem CID
14235

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05221455 external link Add to cart Please log in.
Data Source Data ID
PubChem 14235 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9126904  LogD (pH = 7.4) 2.9126904 
Log P 2.9126904  Molar Refractivity 58.5166 cm3
Polarizability 23.118528 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221455 external link
MP Biomedicals Rare Chemical collection

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