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(Z)-alpha-Santalol

PubChem CID: 5281531

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Compound Synonyms ALPHA-SANTALOL, alpha-Santal-10-en-12-ol, (Z)-alpha-Santalol, (Z)- .alpha.-Santalool, (E)-.alpha.-santalol, a-santalol, .alpha.-Santalol, d-.alpha.-Santalol, (cis)-alpha-santalol, Santalol, cis,.alpha.-, SCHEMBL6515127, CHEBI:195960, PDEQKAVEYSOLJX-NVFXPZDQSA-N, PDEQKAVEYSOLJX-YHYXMXQVSA-N, AKOS024264297, C09719, G89259, (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}-2-methylpent-2-en-1-ol, (Z)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol, 5-(2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-penten-1-ol, 9CI
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Description A coml. mixture of a-santalol and <ht>KFQ12-T</ht> obtained by fractional distillation of sandalwood oil is used as a flavouring ingredient, *FEMA 3006*. alpha-Santal-10-en-12-ol is found in wild celery.
Isotope Atom Count 0.0
Molecular Complexity 331.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (Z)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol
Prediction Hob 0.0
Xlogp 4.0
Molecular Formula C15H24O
Prediction Swissadme 1.0
Inchi Key PDEQKAVEYSOLJX-YHYXMXQVSA-N
Fcsp3 0.8666666666666667
Logs 0.204
Rotatable Bond Count 4.0
Logd 0.574
Synonyms 5-(2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-penten-1-ol, 9CI, a-Santalol, (+)-&alpha, -santalol, (z)- &alpha, -santalool, (z)-alpha-santalol, alpha-Santalol, Argeol, Cis-&alpha, -santalol, Cis-alpha-santalol, D-&alpha, -santalol, D-alpha-santalol, Sandal, Santalol a, Santalol, alpha-
Compound Name (Z)-alpha-Santalol
Prediction Hob Swissadme 0.0
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 1.0
Esol -3.4370072
Inchi InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-
Smiles C/C(=C/CCC1(C2CC3C1(C3C2)C)C)/CO
Nring 0.0
Defined Bond Stereocenter Count 1.0