[5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]

C104H150F4O17 — CID 160937872

About [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]

[5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane] (PubChem CID 160937872) has the molecular formula C104H150F4O17 and a molecular weight of 1748.32 g/mol. Its IUPAC name is [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane].

Molecular Properties

• Compound Name: [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]
• PubChem CID: 160937872
• Molecular Formula: C104H150F4O17
• Molecular Weight: 1748.32 g/mol
• Exact Mass: 1747.08
• IUPAC Name: [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]
• SMILES: C.C.CC12CC3CC(C1)C1(OC(COC(=O)C45CC6CC(CC(C6)C4)C5)C(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)O1)C(C3)C2.CC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2
• InChI: InChI=1S/C37H52O6.C25H34O5.C25H36O4.C15H20F4O2.2CH4/c1-34-10-27-8-28(17-34)37(29(9-27)18-34)42-30(19-40-32(38)35-11-21-2-22(12-35)4-23(3-21)13-35)31(43-37)20-41-33(39)36-14-24-5-25(15-36)7-26(6-24)16-36;1-23-6-15-4-18(10-23)25(19(5-15)11-23)29-13-20(30-25)12-28-22(27)24-7-14-2-16(8-24)21(26)17(3-14)9-24;1-23-7-18-5-19(11-23)25(20(6-18)12-23)28-14-21(29-25)13-27-22(26)24-8-15-2-16(9-24)4-17(3-15)10-24;1-12-4-9-2-10(5-12)15(11(3-9)6-12)20-7-13(16,17)14(18,19)8-21-15;;/h21-31H,2-20H2,1H3;14-20H,2-13H2,1H3;15-21H,2-14H2,1H3;9-11H,2-8H2,1H3;2*1H4
• InChIKey: SUCPAIGUNLUJPE-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 196.11 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.32
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]?

The IUPAC name of [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane] (CID 160937872) is [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane].

What is the SMILES notation for [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]?

The canonical SMILES for [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane] is C.C.CC12CC3CC(C1)C1(OC(COC(=O)C45CC6CC(CC(C6)C4)C5)C(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)O1)C(C3)C2.CC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)O1)C(C3)C2.CC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.

What is the InChIKey of [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]?

The InChIKey is SUCPAIGUNLUJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52O6.C25H34O5.C25H36O4.C15H20F4O2.2CH4/c1-34-10-27-8-28(17-34)37(29(9-27)18-34)42-30(19-40-32(38)35-11-21-2-22(12-35)4-23(3-21)13-35)31(43-37)20-41-33(39)36-14-24-5-25(15-36)7-26(6-24)16-36;1-23-6-15-4-18(10-23)25(19(5-15)11-23)29-13-20(30-25)12-28-22(27)24-7-14-2-16(8-24)21(26)17(3-14)9-24;1-23-7-18-5-19(11-23)25(20(6-18)12-23)28-14-21(29-25)13-27-22(26)24-8-15-2-16(9-24)4-17(3-15)10-24;1-12-4-9-2-10(5-12)15(11(3-9)6-12)20-7-13(16,17)14(18,19)8-21-15;;/h21-31H,2-20H2,1H3;14-20H,2-13H2,1H3;15-21H,2-14H2,1H3;9-11H,2-8H2,1H3;2*1H4.

What are the key properties of [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane]?

[5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane] has a molecular weight of 1748.32 g/mol, XLogP of 20.54, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(adamantane-1-carbonyloxymethyl)-1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;methane;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl adamantane-1-carboxylate;(1'-methylspiro[1,3-dioxolane-2,4'-adamantane]-4-yl)methyl 4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluoro-1'-methylspiro[1,3-dioxepane-2,4'-adamantane] is sourced from PubChem (CID 160937872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).