Home > Compound List > Compound details
945426-65-3 molecular structure
click picture or here to close

(6Z)-6-(3-methoxybutylidene)-1,5,5-trimethylcyclohex-1-ene

ChemBase ID: 172961
Molecular Formular: C14H24O
Molecular Mass: 208.33976
Monoisotopic Mass: 208.18271539
SMILES and InChIs

SMILES:
C1(CCC=C(/C/1=C\CC(C)OC)C)(C)C
Canonical SMILES:
COC(C/C=C/1\C(=CCCC1(C)C)C)C
InChI:
InChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChIKey:
UJJLMWKISWEECA-UKTHLTGXSA-N

Cite this record

CBID:172961 http://www.chembase.cn/molecule-172961.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6Z)-6-(3-methoxybutylidene)-1,5,5-trimethylcyclohex-1-ene
IUPAC Traditional name
(6Z)-6-(3-methoxybutylidene)-1,5,5-trimethylcyclohex-1-ene
Synonyms
(6Z)-6-(3-Methoxybutylidene)-1,5,5-trimethylcyclohexene
4-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-butan-2-methoxy
retro-Methyl-α-ionol
CAS Number
945426-65-3
PubChem SID
164228871
PubChem CID
16752087

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M262610 external link Add to cart
PubChem 16752087 external link
Data Source Data ID Price
TRC
M262610 external link Add to cart Please log in.
Data Source Data ID
PubChem 16752087 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5295177  LogD (pH = 7.4) 3.5295177 
Log P 3.5295177  Molar Refractivity 67.7276 cm3
Polarizability 26.03588 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform 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

TRC TRC
Toronto Research Chemicals - M262610 external link
An intermediate for synthesizing β-Damascenone.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Campagnole, M., et al.: Syn. Comm., 37, 1077 (2007).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle