Chemical Molecules



Molecule Details

Molecule ID MOL65
Compound Name 7-Tetradecene
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Primary Details

Compound Name 7-Tetradecene
Synonym Name trans-7-tetradecene, (E)-7-Tetradecene
CAS ID 10374-74-0
IUPAC Name (E)-tetradec-7-ene
Molecular Formula C14H28
Chemical Safety Health Hazard
External Database ID

5364651 

Inchi InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b14-13+
INCHI Key UBDIXSAEHLOROW-BUHFOSPRSA-N
Canonical SMILES CCCCCCC=CCCCCCC
Molecule Type Natural
Group Phytochemicals
Sub-Group 1 -
Sub-Group 2 -
Sub-Group 3 -
Sub-Group 4 -
Sub-Group 5 -
Description

 

Chemical & Physical Properties

Molecular Weight 196.37 g/mol
LogP (Octanol-Water) 7.05
Hydrogen Donor Count 0
Bond Acceptor Count 0
Rotable Bond Count 10
Topological Surface Area 0
Heavy Atom Count 14
Melting Point
Boiling Point
Water Solubility
Henry's Law Constant
pKa Dissociation Constant
Vapour Pressure
Molecule Density
Molecule Stability
Kovats retention Index Standard polar: 1417.4, 1423.3, 1423.5, 1416, 1417, 1421, 1421, 1422, 1422, 1422, 1422, 1423, 1427, 1428, 1428, 1429, 1430, 1431, 1432, 1432, 1434, 1435, 1412.5, 1413.9, 1414.7, 1415.8, 1415.8, 1417.3, 1420.6, 1421.5, 1421.6, 1421.7, 1422.3, 1423, 1431, 1432, 1434, 1435
Physical Description

Clear colorless liquid 

Spectra Information

No data found

Biological Activities

Activity Name
Molecule Target
Comment

 

References
  1. Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., ... & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research49(W1), W5-W14.
  2. Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., ... & Bolton, E. E. (2019). PubChem 2019 update: improved access to chemical data. Nucleic acids research47(D1), D1102-D1109.

Other Details

No data found

Plants

No data found

Crude Drugs

No data found