[5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate

C198H294O36 — CID 162227486

About [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate

[5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate (PubChem CID 162227486) has the molecular formula C198H294O36 and a molecular weight of 3250.49 g/mol. Its IUPAC name is [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate.

Molecular Properties

• Compound Name: [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate
• PubChem CID: 162227486
• Molecular Formula: C198H294O36
• Molecular Weight: 3250.49 g/mol
• Exact Mass: 3248.12
• IUPAC Name: [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate
• SMILES: CC.CC.CC.CC.CC.CC.O=C(OCC1(COC(=O)C23CC4CC(CC(C4)C2)C3)COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(C3)C1)C2.O=C(OCC1(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(O)(C3)C1)C2.O=C(OCC1COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(C3)C1)C2.O=C(OCC1COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OCC1(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)COC4(OC1)C1CC5CC(C1)CC4C5)(C3)C2.O=C1C2CC3CC1CC(C(=O)OCC1COC4(OC1)C1CC5CC(C1)CC4C5)(C3)C2
• InChI: InChI=1S/C37H52O8.C37H48O8.C37H52O6.C25H36O5.C25H34O5.C25H36O4.6C2H6/c38-30(33-8-24-2-25(9-33)13-35(40,12-24)16-33)42-18-32(19-43-31(39)34-10-26-3-27(11-34)15-36(41,14-26)17-34)20-44-37(45-21-32)28-4-22-1-23(6-28)7-29(37)5-22;38-30-24-2-22-3-25(30)13-35(10-22,12-24)32(40)42-16-34(17-43-33(41)36-11-23-4-26(14-36)31(39)27(5-23)15-36)18-44-37(45-19-34)28-6-20-1-21(8-28)9-29(37)7-20;38-32(35-12-24-2-25(13-35)4-26(3-24)14-35)40-18-34(19-41-33(39)36-15-27-5-28(16-36)7-29(6-27)17-36)20-42-37(43-21-34)30-8-22-1-23(10-30)11-31(37)9-22;26-22(23-7-17-2-18(8-23)10-24(27,9-17)14-23)28-11-19-12-29-25(30-13-19)20-3-15-1-16(5-20)6-21(25)4-15;26-22-18-2-16-3-19(22)10-24(8-16,9-18)23(27)28-11-17-12-29-25(30-13-17)20-4-14-1-15(6-20)7-21(25)5-14;26-23(24-9-17-2-18(10-24)4-19(3-17)11-24)27-12-20-13-28-25(29-14-20)21-5-15-1-16(7-21)8-22(25)6-15;6*1-2/h22-29,40-41H,1-21H2;20-29H,1-19H2;22-31H,1-21H2;15-21,27H,1-14H2;14-21H,1-13H2;15-22H,1-14H2;6*1-2H3
• InChIKey: ZUYLLROGQHDXML-UHFFFAOYSA-N
• XLogP: 34.80
• TPSA: 459.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3250.49
LogP ≤ 5	34.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate?

The IUPAC name of [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate (CID 162227486) is [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate.

What is the SMILES notation for [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate?

The canonical SMILES for [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate is CC.CC.CC.CC.CC.CC.O=C(OCC1(COC(=O)C23CC4CC(CC(C4)C2)C3)COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(C3)C1)C2.O=C(OCC1(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(O)(C3)C1)C2.O=C(OCC1COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(C3)C1)C2.O=C(OCC1COC2(OC1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OCC1(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)COC4(OC1)C1CC5CC(C1)CC4C5)(C3)C2.O=C1C2CC3CC1CC(C(=O)OCC1COC4(OC1)C1CC5CC(C1)CC4C5)(C3)C2.

What is the InChIKey of [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate?

The InChIKey is ZUYLLROGQHDXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52O8.C37H48O8.C37H52O6.C25H36O5.C25H34O5.C25H36O4.6C2H6/c38-30(33-8-24-2-25(9-33)13-35(40,12-24)16-33)42-18-32(19-43-31(39)34-10-26-3-27(11-34)15-36(41,14-26)17-34)20-44-37(45-21-32)28-4-22-1-23(6-28)7-29(37)5-22;38-30-24-2-22-3-25(30)13-35(10-22,12-24)32(40)42-16-34(17-43-33(41)36-11-23-4-26(14-36)31(39)27(5-23)15-36)18-44-37(45-19-34)28-6-20-1-21(8-28)9-29(37)7-20;38-32(35-12-24-2-25(13-35)4-26(3-24)14-35)40-18-34(19-41-33(39)36-15-27-5-28(16-36)7-29(6-27)17-36)20-42-37(43-21-34)30-8-22-1-23(10-30)11-31(37)9-22;26-22(23-7-17-2-18(8-23)10-24(27,9-17)14-23)28-11-19-12-29-25(30-13-19)20-3-15-1-16(5-20)6-21(25)4-15;26-22-18-2-16-3-19(22)10-24(8-16,9-18)23(27)28-11-17-12-29-25(30-13-17)20-4-14-1-15(6-20)7-21(25)5-14;26-23(24-9-17-2-18(10-24)4-19(3-17)11-24)27-12-20-13-28-25(29-14-20)21-5-15-1-16(7-21)8-22(25)6-15;6*1-2/h22-29,40-41H,1-21H2;20-29H,1-19H2;22-31H,1-21H2;15-21,27H,1-14H2;14-21H,1-13H2;15-22H,1-14H2;6*1-2H3.

What are the key properties of [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate?

[5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate has a molecular weight of 3250.49 g/mol, XLogP of 34.80, 27 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl adamantane-1-carboxylate;ethane;[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,2'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl adamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 3-hydroxyadamantane-1-carboxylate;spiro[1,3-dioxane-2,2'-adamantane]-5-ylmethyl 4-oxoadamantane-1-carboxylate is sourced from PubChem (CID 162227486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).