adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)

C167H278F4N8O34 — CID 158460980

About adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)

adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium) (PubChem CID 158460980) has the molecular formula C167H278F4N8O34 and a molecular weight of 3018.07 g/mol. Its IUPAC name is adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium).

Molecular Properties

• Compound Name: adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)
• PubChem CID: 158460980
• Molecular Formula: C167H278F4N8O34
• Molecular Weight: 3018.07 g/mol
• Exact Mass: 3016.02
• IUPAC Name: adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)
• SMILES: CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O=C(O)c1ccccc1[O-].O=C([O-])C12CC3CC(C1)C1(OCC(CO)O1)C(C3)C2.O=C([O-])C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(O)C(C6)C5)O1)C(C3)C2.O=C([O-])C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.O=C([O-])C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2
• InChI: InChI=1S/2C25H34O7.C15H18F4O4.C14H20O5.C11H16O3.C11H14O3.C11H16O2.C7H6O3.8C6H15N/c26-20(27)22-4-14-2-17(9-22)25(18(3-14)10-22)31-12-19(32-25)11-30-21(28)23-5-15-1-16(6-23)8-24(29,7-15)13-23;26-20-15-1-13-2-16(20)8-24(6-13,7-15)22(29)30-11-19-12-31-25(32-19)17-3-14-4-18(25)10-23(5-14,9-17)21(27)28;16-13(17)6-22-15(23-7-14(13,18)19)9-1-8-2-10(15)5-12(3-8,4-9)11(20)21;15-6-11-7-18-14(19-11)9-1-8-2-10(14)5-13(3-8,4-9)12(16)17;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;8-6-4-2-1-3-5(6)7(9)10;8*1-4-7(5-2)6-3/h14-19,29H,1-13H2,(H,26,27);13-20,26H,1-12H2,(H,27,28);8-10H,1-7H2,(H,20,21);8-11,15H,1-7H2,(H,16,17);7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);1-4,8H,(H,9,10);8*4-6H2,1-3H3
• InChIKey: HFDZGECZHFTMKR-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 601.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 39
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3018.07
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)?

The IUPAC name of adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium) (CID 158460980) is adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium).

What is the SMILES notation for adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)?

The canonical SMILES for adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium) is CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O=C(O)c1ccccc1[O-].O=C([O-])C12CC3CC(C1)C1(OCC(CO)O1)C(C3)C2.O=C([O-])C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(O)C(C6)C5)O1)C(C3)C2.O=C([O-])C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.O=C([O-])C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2.

What is the InChIKey of adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)?

The InChIKey is HFDZGECZHFTMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H34O7.C15H18F4O4.C14H20O5.C11H16O3.C11H14O3.C11H16O2.C7H6O3.8C6H15N/c26-20(27)22-4-14-2-17(9-22)25(18(3-14)10-22)31-12-19(32-25)11-30-21(28)23-5-15-1-16(6-23)8-24(29,7-15)13-23;26-20-15-1-13-2-16(20)8-24(6-13,7-15)22(29)30-11-19-12-31-25(32-19)17-3-14-4-18(25)10-23(5-14,9-17)21(27)28;16-13(17)6-22-15(23-7-14(13,18)19)9-1-8-2-10(15)5-12(3-8,4-9)11(20)21;15-6-11-7-18-14(19-11)9-1-8-2-10(14)5-13(3-8,4-9)12(16)17;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;8-6-4-2-1-3-5(6)7(9)10;8*1-4-7(5-2)6-3/h14-19,29H,1-13H2,(H,26,27);13-20,26H,1-12H2,(H,27,28);8-10H,1-7H2,(H,20,21);8-11,15H,1-7H2,(H,16,17);7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);1-4,8H,(H,9,10);8*4-6H2,1-3H3.

What are the key properties of adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium)?

adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium) has a molecular weight of 3018.07 g/mol, XLogP of 5.25, 39 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for adamantane-1-carboxylate;2-carboxyphenolate;4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-[(4-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;3-hydroxyadamantane-1-carboxylate;4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;4-oxoadamantane-1-carboxylate;5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;octakis(triethylazanium) is sourced from PubChem (CID 158460980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).