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Chem Ethyllinalool Karoma | Cheminformatics

Ethyllinalool


  • SKU Code: CH140070
Chemical Name - Ethyllinalool
Mol Weight - 182.306
Smiles - CCC=CC(C)(CCC=C(C)C)O
Property Name Property Value
Mol NameEthyllinalool
Molweight182.306
Monoisotopic Mass182.167065
Clogp4.0732
Clogs-2.522
H Acceptors1
H Donors1
Total Surface Area171.79
Relative Psa0.076256
Polar Surface Area20.23
Druglikeness-3.5805
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.76923
Molecular Flexibility0.75828
Molecular Complexity0.50742
Fragments1
Non H Atoms13
Non Ch Atoms1
Electronegative Atoms1
Stereo Centers1
Rotatable Bonds5
Sp3 Atoms9
Symmetric Atoms1
SmilesCCC=CC(C)(CCC=C(C)C)O
InChIKeyInChI=1S/C12H22O/c1-5-6-9-12(4,13)10-7-8-11(2)3/h6,8-9,13H,5,7,10H2,1-4H3
InChIICAYXYZGMKEFNH-UHFFFAOYSA-N

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1 - Ethyllinalool
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