3034463 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 10 10 3 4 6 10 7 8 11 5 12 13 9 14 15 16 17 18 9 19 20 21 22 23 24 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 3 4 6 10 3 1 3 2 7 8 11 3 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 5.232 3.732 2.866 4.5981 4.5981 3.232 2.866 2 3.732 4.232 2.866 5.2087 4.8101 4.8101 5.2087 3.769 2.922 2.6951 2.3291 2.31 1.4631 1.69 3.732 3.922 1.1645 0.2985 -0.2015 -0.2015 -1.2015 1.1645 -1.2015 0.2985 -1.7015 1.1645 0.4185 -0.3091 0.3811 -1.7841 -1.0938 1.4745 1.7015 0.8545 -1.5115 0.8355 0.6085 -0.2384 -2.3215 1.7015 3 3 2 3 6 8 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 160 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0702000000000000000000000000000000000000000200000000000000000000000001A00000000000F00A080020200000000008800285280000000002000000808010000080000120001000000000080000800030800000F80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethylcyclohex-3-ene-1-carbaldehyde IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethyl-1-cyclohex-3-enecarboxaldehyde IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethylcyclohex-3-ene-1-carbaldehyde IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethylcyclohex-3-ene-1-carbaldehyde IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethylcyclohex-3-ene-1-carbaldehyde IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethylcyclohex-3-ene-1-carbaldehyde InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H14O/c1-8-5-3-4-6-9(8,2)7-10/h3,5,7-8H,4,6H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CYGGTUUCLIFNIU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 138.104465066 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H14O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 138.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C=CCCC1(C)C=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C=CCCC1(C)C=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 17.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 138.104465066 10 2 0 2 0 0 0 0 1 -1