(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate

C149H218O37 — CID 161336418

About (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate

(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate (PubChem CID 161336418) has the molecular formula C149H218O37 and a molecular weight of 2601.35 g/mol. Its IUPAC name is (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate
• PubChem CID: 161336418
• Molecular Formula: C149H218O37
• Molecular Weight: 2601.35 g/mol
• Exact Mass: 2599.52
• IUPAC Name: (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC12CC3(C)CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(C)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3(C)CC(C)(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(C)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(O)(CC(O)(C3)C1C)C2
• InChI: InChI=1S/C16H24O4.C16H24O3.C15H22O5.C15H22O4.3C15H22O3.C14H20O5.C14H20O4.C14H20O3/c1-10(2)12(17)20-16-7-13(4)5-14(18,9-16)8-15(19,6-13)11(16)3;1-10(2)13(17)19-16-7-12-5-14(4,9-16)8-15(18,6-12)11(16)3;1-9(2)11(16)20-15-7-12(17)4-13(18,8-15)6-14(19,5-12)10(15)3;1-9(2)12(16)19-15-6-11-4-13(17,8-15)7-14(18,5-11)10(15)3;1-9(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)10(15)3;1-4-11(16)18-15-8-12(2)5-13(3,9-15)7-14(17,6-12)10-15;1-4-12(16)18-15-7-11-5-13(3,9-15)8-14(17,6-11)10(15)2;1-3-10(15)19-14-7-11(16)4-12(17,8-14)6-13(18,5-11)9(14)2;1-3-11(15)18-14-6-10-4-12(16,8-14)7-13(17,5-10)9(14)2;1-3-12(15)17-14-7-10-4-11(8-14)6-13(16,5-10)9(14)2/h11,18-19H,1,5-9H2,2-4H3;11-12,18H,1,5-9H2,2-4H3;10,17-19H,1,4-8H2,2-3H3;10-11,17-18H,1,4-8H2,2-3H3;10-12,17H,1,4-8H2,2-3H3;4,17H,1,5-10H2,2-3H3;4,10-11,17H,1,5-9H2,2-3H3;3,9,16-18H,1,4-8H2,2H3;3,9-10,16-17H,1,4-8H2,2H3;3,9-11,16H,1,4-8H2,2H3
• InChIKey: VMCBPNMVFSNYQT-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 606.91 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2601.35
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate?

The IUPAC name of (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate (CID 161336418) is (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate.

What is the SMILES notation for (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate?

The canonical SMILES for (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate is C=C(C)C(=O)OC12CC3(C)CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(C)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3(C)CC(C)(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(C)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(O)(CC(O)(C3)C1C)C2.

What is the InChIKey of (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate?

The InChIKey is VMCBPNMVFSNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4.C16H24O3.C15H22O5.C15H22O4.3C15H22O3.C14H20O5.C14H20O4.C14H20O3/c1-10(2)12(17)20-16-7-13(4)5-14(18,9-16)8-15(19,6-13)11(16)3;1-10(2)13(17)19-16-7-12-5-14(4,9-16)8-15(18,6-12)11(16)3;1-9(2)11(16)20-15-7-12(17)4-13(18,8-15)6-14(19,5-12)10(15)3;1-9(2)12(16)19-15-6-11-4-13(17,8-15)7-14(18,5-11)10(15)3;1-9(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)10(15)3;1-4-11(16)18-15-8-12(2)5-13(3,9-15)7-14(17,6-12)10-15;1-4-12(16)18-15-7-11-5-13(3,9-15)8-14(17,6-11)10(15)2;1-3-10(15)19-14-7-11(16)4-12(17,8-14)6-13(18,5-11)9(14)2;1-3-11(15)18-14-6-10-4-12(16,8-14)7-13(17,5-10)9(14)2;1-3-12(15)17-14-7-10-4-11(8-14)6-13(16,5-10)9(14)2/h11,18-19H,1,5-9H2,2-4H3;11-12,18H,1,5-9H2,2-4H3;10,17-19H,1,4-8H2,2-3H3;10-11,17-18H,1,4-8H2,2-3H3;10-12,17H,1,4-8H2,2-3H3;4,17H,1,5-10H2,2-3H3;4,10-11,17H,1,5-9H2,2-3H3;3,9,16-18H,1,4-8H2,2H3;3,9-10,16-17H,1,4-8H2,2H3;3,9-11,16H,1,4-8H2,2H3.

What are the key properties of (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate?

(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate has a molecular weight of 2601.35 g/mol, XLogP of 17.91, 20 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate is sourced from PubChem (CID 161336418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).