59966036 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 6 6 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 15 16 16 17 17 17 18 18 19 19 20 20 20 21 22 22 22 23 23 23 17 57 3 4 8 9 5 24 25 6 10 7 26 27 7 11 12 28 29 30 31 32 33 13 34 35 36 37 38 39 40 14 41 15 16 42 43 44 19 45 18 20 46 21 22 21 47 23 48 49 50 51 52 53 54 55 56 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 17 1 18 20 46 3 1 4 2 6 10 34 13 2 1 13 10 41 14 15 16 1 1 16 14 45 19 47 21 2 1 18 17 22 21 50 19 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 7.3301 3 3 3.866 3.866 4.732 4.732 2 2.5 3.866 5.5981 5.5981 4.732 4.732 3.866 5.5981 7.3301 6.4641 5.5981 8.1962 6.4641 5.5981 9.0622 2.3894 2.788 3.4675 4.2646 2 1.38 2 3.0369 2.19 1.9631 3.3291 5.9081 6.135 5.2881 5.2881 6.135 5.9081 5.269 4.176 3.3291 3.556 6.135 7.8671 5.0611 7.7976 8.5947 7.001 5.9081 5.0611 5.2881 9.3722 9.5991 8.7522 7.8671 4.345 -3.155 -4.155 -2.655 -4.655 -3.155 -4.155 -3.155 -2.289 -1.655 -2.655 -4.655 -1.155 -0.155 0.345 0.345 3.345 2.845 1.345 2.845 1.845 3.345 3.345 -4.0473 -4.7376 -5.13 -5.13 -2.535 -3.155 -3.775 -1.979 -1.752 -2.599 -1.345 -3.1919 -2.345 -2.1181 -5.1919 -4.965 -4.1181 -1.465 0.8819 0.655 -0.1919 0.035 3.655 1.655 2.37 2.37 1.535 3.8819 3.655 2.8081 2.8081 3.655 3.8819 4.655 3 17 1 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 565 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0782000000000000000000000000000000000000000200000000000000000000000001A00000800000E14A080020200000002008002204200000000002000000808000000080814020001000050000080000890030080800F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethyl-1-cyclohex-2-enylidene)-3-deca-4,6,8-trienol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>E</I>,6<I>E</I>,8<I>E</I>,10<I>Z</I>)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H34O/c1-8-21(23)18(4)11-9-10-16(2)12-13-20-19(5)17(3)14-15-22(20,6)7/h9-13,21,23H,8,14-15H2,1-7H3/b10-9+,16-12+,18-11+,20-13+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QYQWYVMCVBVRQW-MTLORSBJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.260965704 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H34O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C(=CC=CC(=CC=C1C(=C(CCC1(C)C)C)C)C)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(/C(=C/C=C/C(=C/C=C/1\C(=C(CCC1(C)C)C)C)/C)/C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.260965704 23 1 0 1 4 4 0 0 1 -1