Home > Compound List > Compound details
6140-67-6 molecular structure
click picture or here to close

cyclohept-1-ene-1-carbaldehyde

ChemBase ID: 796270
Molecular Formular: C8H12O
Molecular Mass: 124.18028
Monoisotopic Mass: 124.088815
SMILES and InChIs

SMILES:
C1(=CCCCCC1)C=O
Canonical SMILES:
O=CC1=CCCCCC1
InChI:
InChI=1S/C8H12O/c9-7-8-5-3-1-2-4-6-8/h5,7H,1-4,6H2
InChIKey:
XFXBZUGAKSVCJA-UHFFFAOYSA-N

Cite this record

CBID:796270 http://www.chembase.cn/molecule-796270.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclohept-1-ene-1-carbaldehyde
IUPAC Traditional name
cyclohept-1-ene-1-carbaldehyde
Synonyms
cyclohept-1-enecarbaldehyde
CAS Number
6140-67-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2071 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2071 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) 2.0264966  LogD (pH = 7.4) 2.0264966 
Log P 2.0264966  Molar Refractivity 38.3974 cm3
Polarizability 14.569685 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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