About 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene (PubChem CID 157054676) has the molecular formula C150H141N8O5+5
and a molecular weight of 2135.83 g/mol. Its IUPAC name is 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene.
Frequently Asked Questions
What is the IUPAC name of 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?
The IUPAC name of 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene (CID 157054676) is 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene.
What is the SMILES notation for 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?
The canonical SMILES for 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene is Cc1ccc(-c2c(C)ccc3c2oc2c4c(ccc23)C(C)(C)c2ccncc2-4)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2c4c(ccc23)C(C)(C)c2cnccc2-4)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2c4c(ccc23)C(C)(C)c2ncccc2-4)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2ccc4c(c23)-c2ccccc2C4(CC(C)C)CC(C)C)[n+](C)c1.Cc1ccc(-c2c(C)ccc3c2oc2ccc4c(c23)-c2ccccc2C42CCCC2)[n+](C)c1.
What is the InChIKey of 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?
The InChIKey is DHVUWIWEFTYGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38NO.C31H28NO.3C28H25N2O/c1-21(2)18-35(19-22(3)4)27-11-9-8-10-25(27)32-28(35)15-17-30-33(32)26-14-13-24(6)31(34(26)37-30)29-16-12-23(5)20-36(29)7;1-19-10-14-25(32(3)18-19)27-20(2)11-12-22-29-26(33-30(22)27)15-13-24-28(29)21-8-4-5-9-23(21)31(24)16-6-7-17-31;1-16-6-11-23(30(5)15-16)24-17(2)7-8-18-19-9-10-22-25(27(19)31-26(18)24)20-14-29-13-12-21(20)28(22,3)4;1-16-6-11-23(30(5)15-16)24-17(2)7-8-18-19-9-10-21-25(27(19)31-26(18)24)20-12-13-29-14-22(20)28(21,3)4;1-16-8-13-22(30(5)15-16)23-17(2)9-10-18-19-11-12-21-24(26(19)31-25(18)23)20-7-6-14-29-27(20)28(21,3)4/h8-17,20-22H,18-19H2,1-7H3;4-5,8-15,18H,6-7,16-17H2,1-3H3;3*6-15H,1-5H3/q5*+1.
What are the key properties of 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?
1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene has a molecular weight of 2135.83 g/mol, XLogP of 35.77, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[6-methyl-14,14-bis(2-methylpropyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]pyridin-1-ium;1,5-dimethyl-2-(6-methylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,1'-cyclopentane]-7-yl)pyridin-1-ium;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-5-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;18-(1,5-dimethylpyridin-1-ium-2-yl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene is sourced from PubChem (CID 157054676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).