(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

C71H102O16 — CID 160615059

About (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 160615059) has the molecular formula C71H102O16 and a molecular weight of 1211.58 g/mol. Its IUPAC name is (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• PubChem CID: 160615059
• Molecular Formula: C71H102O16
• Molecular Weight: 1211.58 g/mol
• Exact Mass: 1210.72
• IUPAC Name: (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=Cc1ccc(OC(C)OCC)cc1
• InChI: InChI=1S/C17H26O2.C16H20O6.C14H20O4.C12H20O2.C12H16O2/c1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-8(2)15(18)20-7-13(17)22-14-10-3-9-4-11(6-10)16(19)21-12(14)5-9;1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h11-15H,1,5-9H2,2-4H3;9-12,14H,1,3-7H2,2H3;10,16-17H,1,3-8H2,2H3;10H,1,5-8H2,2-4H3;4,6-10H,1,5H2,2-3H3
• InChIKey: RFZCWSLKQGLDNS-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 216.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.58
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The IUPAC name of (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (CID 160615059) is (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

What is the SMILES notation for (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The canonical SMILES for (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=Cc1ccc(OC(C)OCC)cc1.

What is the InChIKey of (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

The InChIKey is RFZCWSLKQGLDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C16H20O6.C14H20O4.C12H20O2.C12H16O2/c1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-8(2)15(18)20-7-13(17)22-14-10-3-9-4-11(6-10)16(19)21-12(14)5-9;1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h11-15H,1,5-9H2,2-4H3;9-12,14H,1,3-7H2,2H3;10,16-17H,1,3-8H2,2H3;10H,1,5-8H2,2-4H3;4,6-10H,1,5H2,2-3H3.

What are the key properties of (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?

(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 1211.58 g/mol, XLogP of 12.81, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;1-ethenyl-4-(1-ethoxyethoxy)benzene;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 160615059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).