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Isolaureldehyde

PubChem CID: 70686591

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Compound Synonyms Isolaureldehyde, 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde, 4-((1R)-1,2,3-trimethylcyclopent-2-en-1-yl)benzaldehyde, CHEMBL2064474
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 307.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id n.a.
Iupac Name 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde
Prediction Hob 0.0
Xlogp 3.2
Molecular Formula C15H18O
Prediction Swissadme 0.0
Inchi Key KIWINOWJHFHSJH-HNNXBMFYSA-N
Fcsp3 0.4
Logs -4.512
Rotatable Bond Count 2.0
Logd 3.176
Compound Name Isolaureldehyde
Prediction Hob Swissadme 0.0
Exact Mass 214.136
Formal Charge 0.0
Monoisotopic Mass 214.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 214.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.3365095999999994
Inchi InChI=1S/C15H18O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,10H,8-9H2,1-3H3/t15-/m0/s1
Smiles CC1=C([C@@](CC1)(C)C2=CC=C(C=C2)C=O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0