[(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

C118H168N8O32 — CID 161220135

About [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

[(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one (PubChem CID 161220135) has the molecular formula C118H168N8O32 and a molecular weight of 2210.67 g/mol. Its IUPAC name is [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one.

Molecular Properties

• Compound Name: [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
• PubChem CID: 161220135
• Molecular Formula: C118H168N8O32
• Molecular Weight: 2210.67 g/mol
• Exact Mass: 2209.18
• IUPAC Name: [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
• SMILES: CCC1(CC)OC(OC(C)=O)C(OC(C)=O)[C@H]1C.CCC1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(O)[C@H]1C.CCC1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(O)[C@H]1OCc1ccccc1.CCC1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OC(C)=O)[C@H]1OCc1ccccc1.CCC1(CC)O[C@@H]2C(Oc3nc(=O)c(C)cn32)[C@H]1OCc1ccccc1.CCC1(CC)O[C@@H]2OC(C)(C)OC2[C@H]1C.CC[C@@]1(CO)O[C@@H]2OC(C)(C)OC2[C@H]1OCc1ccccc1
• InChI: InChI=1S/C22H28N2O6.C20H26N2O5.C20H24N2O4.C17H24O5.C14H22N2O4.C13H22O5.C12H22O3/c1-5-22(6-2)18(28-13-16-10-8-7-9-11-16)17(29-15(4)25)20(30-22)24-12-14(3)19(26)23-21(24)27;1-4-20(5-2)16(26-12-14-9-7-6-8-10-14)15(23)18(27-20)22-11-13(3)17(24)21-19(22)25;1-4-20(5-2)16(24-12-14-9-7-6-8-10-14)15-18(26-20)22-11-13(3)17(23)21-19(22)25-15;1-4-17(11-18)14(19-10-12-8-6-5-7-9-12)13-15(22-17)21-16(2,3)20-13;1-5-14(6-2)9(4)10(17)12(20-14)16-7-8(3)11(18)15-13(16)19;1-6-13(7-2)8(3)11(16-9(4)14)12(18-13)17-10(5)15;1-6-12(7-2)8(3)9-10(15-12)14-11(4,5)13-9/h7-12,17-18,20H,5-6,13H2,1-4H3,(H,23,26,27);6-11,15-16,18,23H,4-5,12H2,1-3H3,(H,21,24,25);6-11,15-16,18H,4-5,12H2,1-3H3;5-9,13-15,18H,4,10-11H2,1-3H3;7,9-10,12,17H,5-6H2,1-4H3,(H,15,18,19);8,11-12H,6-7H2,1-5H3;8-10H,6-7H2,1-5H3/t17?,18-,20-;2*15?,16-,18-;13?,14-,15+,17+;9-,10?,12-;8-,11?,12?;8-,9?,10+/m1111111/s1
• InChIKey: UXJWOIOBSJQKGQ-LDRFRXDDSA-N
• XLogP: 15.19
• TPSA: 486.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.67
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one?

The IUPAC name of [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one (CID 161220135) is [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one.

What is the SMILES notation for [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one?

The canonical SMILES for [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one is CCC1(CC)OC(OC(C)=O)C(OC(C)=O)[C@H]1C.CCC1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(O)[C@H]1C.CCC1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(O)[C@H]1OCc1ccccc1.CCC1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OC(C)=O)[C@H]1OCc1ccccc1.CCC1(CC)O[C@@H]2C(Oc3nc(=O)c(C)cn32)[C@H]1OCc1ccccc1.CCC1(CC)O[C@@H]2OC(C)(C)OC2[C@H]1C.CC[C@@]1(CO)O[C@@H]2OC(C)(C)OC2[C@H]1OCc1ccccc1.

What is the InChIKey of [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one?

The InChIKey is UXJWOIOBSJQKGQ-LDRFRXDDSA-N. The full InChI is InChI=1S/C22H28N2O6.C20H26N2O5.C20H24N2O4.C17H24O5.C14H22N2O4.C13H22O5.C12H22O3/c1-5-22(6-2)18(28-13-16-10-8-7-9-11-16)17(29-15(4)25)20(30-22)24-12-14(3)19(26)23-21(24)27;1-4-20(5-2)16(26-12-14-9-7-6-8-10-14)15(23)18(27-20)22-11-13(3)17(24)21-19(22)25;1-4-20(5-2)16(24-12-14-9-7-6-8-10-14)15-18(26-20)22-11-13(3)17(23)21-19(22)25-15;1-4-17(11-18)14(19-10-12-8-6-5-7-9-12)13-15(22-17)21-16(2,3)20-13;1-5-14(6-2)9(4)10(17)12(20-14)16-7-8(3)11(18)15-13(16)19;1-6-13(7-2)8(3)11(16-9(4)14)12(18-13)17-10(5)15;1-6-12(7-2)8(3)9-10(15-12)14-11(4,5)13-9/h7-12,17-18,20H,5-6,13H2,1-4H3,(H,23,26,27);6-11,15-16,18,23H,4-5,12H2,1-3H3,(H,21,24,25);6-11,15-16,18H,4-5,12H2,1-3H3;5-9,13-15,18H,4,10-11H2,1-3H3;7,9-10,12,17H,5-6H2,1-4H3,(H,15,18,19);8,11-12H,6-7H2,1-5H3;8-10H,6-7H2,1-5H3/t17?,18-,20-;2*15?,16-,18-;13?,14-,15+,17+;9-,10?,12-;8-,11?,12?;8-,9?,10+/m1111111/s1.

What are the key properties of [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one?

[(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one has a molecular weight of 2210.67 g/mol, XLogP of 15.19, 32 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-2-acetyloxy-5,5-diethyl-4-methyloxolan-3-yl] acetate;(3aR,6R)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,5S,6R)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R)-5,5-diethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate;(2R,5R)-4,4-diethyl-11-methyl-5-phenylmethoxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one is sourced from PubChem (CID 161220135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).