bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate

C135H204O17 — CID 160641025

About bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate

bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate (PubChem CID 160641025) has the molecular formula C135H204O17 and a molecular weight of 2099.10 g/mol. Its IUPAC name is bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate.

Molecular Properties

• Compound Name: bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
• PubChem CID: 160641025
• Molecular Formula: C135H204O17
• Molecular Weight: 2099.10 g/mol
• Exact Mass: 2097.51
• IUPAC Name: bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
• SMILES: CC(O)COC(=O)C1CC2CC1C1C3CC(C(C)C3C)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC(C)(C)C)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC(C)(C)C)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC4(C)C5CC6CC(C5)CC4C6)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC4CCCCO4)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC4CCOC4=O)C(C3)C21.CC1C(C)C2CC1C1C3CC(O)C(C3)C21
• InChI: InChI=1S/C26H38O2.C20H30O3.C19H26O4.2C19H30O2.C18H28O3.C14H22O/c1-12-13(2)20-11-19(12)23-16-9-21(24(20)23)22(10-16)25(27)28-26(3)17-5-14-4-15(7-17)8-18(26)6-14;1-10-11(2)14-9-13(10)18-12-7-15(19(14)18)16(8-12)20(21)23-17-5-3-4-6-22-17;1-8-9(2)12-7-11(8)16-10-5-13(17(12)16)14(6-10)18(20)23-15-3-4-22-19(15)21;2*1-9-10(2)13-8-12(9)16-11-6-14(17(13)16)15(7-11)18(20)21-19(3,4)5;1-8(19)7-21-18(20)15-5-11-4-14(15)17-13-6-12(16(11)17)9(2)10(13)3;1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(15)4-8/h12-24H,4-11H2,1-3H3;10-19H,3-9H2,1-2H3;8-17H,3-7H2,1-2H3;2*9-17H,6-8H2,1-5H3;8-17,19H,4-7H2,1-3H3;6-15H,3-5H2,1-2H3
• InChIKey: RJEDPZNPRPPHDJ-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 233.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.10
LogP ≤ 5	25.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?

The IUPAC name of bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate (CID 160641025) is bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate.

What is the SMILES notation for bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?

The canonical SMILES for bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate is CC(O)COC(=O)C1CC2CC1C1C3CC(C(C)C3C)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC(C)(C)C)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC(C)(C)C)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC4(C)C5CC6CC(C5)CC4C6)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC4CCCCO4)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(=O)OC4CCOC4=O)C(C3)C21.CC1C(C)C2CC1C1C3CC(O)C(C3)C21.

What is the InChIKey of bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?

The InChIKey is RJEDPZNPRPPHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2.C20H30O3.C19H26O4.2C19H30O2.C18H28O3.C14H22O/c1-12-13(2)20-11-19(12)23-16-9-21(24(20)23)22(10-16)25(27)28-26(3)17-5-14-4-15(7-17)8-18(26)6-14;1-10-11(2)14-9-13(10)18-12-7-15(19(14)18)16(8-12)20(21)23-17-5-3-4-6-22-17;1-8-9(2)12-7-11(8)16-10-5-13(17(12)16)14(6-10)18(20)23-15-3-4-22-19(15)21;2*1-9-10(2)13-8-12(9)16-11-6-14(17(13)16)15(7-11)18(20)21-19(3,4)5;1-8(19)7-21-18(20)15-5-11-4-14(15)17-13-6-12(16(11)17)9(2)10(13)3;1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(15)4-8/h12-24H,4-11H2,1-3H3;10-19H,3-9H2,1-2H3;8-17H,3-7H2,1-2H3;2*9-17H,6-8H2,1-5H3;8-17,19H,4-7H2,1-3H3;6-15H,3-5H2,1-2H3.

What are the key properties of bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?

bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate has a molecular weight of 2099.10 g/mol, XLogP of 25.62, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol;2-hydroxypropyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-methyl-2-adamantyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;oxan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(2-oxooxolan-3-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate is sourced from PubChem (CID 160641025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).