2758 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 8 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 2 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 3 4 4 5 6 12 7 8 9 10 11 7 13 16 8 14 15 19 20 17 18 21 22 23 24 25 26 27 28 29 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 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 3.2543 4.4909 4.232 4.1203 2 6.3228 2.5 6.064 3.9732 4.8274 3.8615 4.498 1.7294 6.9141 6.5349 1.4523 5.852 6.6553 1.9631 2.81 3.3744 3.8128 4.5721 5.2658 5.2658 4.389 4.4603 3.701 3.2626 0.6743 -0.1743 -1.1402 1.1743 -1.2742 -0.9331 -2.1402 -1.8991 -2.1062 1.8814 2.1402 -0.7943 -0.7164 -1.1196 -0.3505 -1.5647 -2.4817 -2.0855 -2.4502 -2.6772 -1.9457 -2.705 -2.2666 1.443 2.3198 2.3198 2.3007 2.7391 1.9798 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 164 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0702000000000000000000000000000000000000000344880000000000000000000001A00000000000D4480800002000000040000000000000000000000000000000000000000000200000002000004000000000180C0F00E8000000000000000C000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WEEGYLXZBRQIMU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.135765 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H18O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.24932 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1(C2CCC(O1)(CC2)C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1(C2CCC(O1)(CC2)C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 9.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.135765 11 0 0 0 0 0 0 0 1 1