2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate

C98H168O14 — CID 158420692

About 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate

2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate (PubChem CID 158420692) has the molecular formula C98H168O14 and a molecular weight of 1570.41 g/mol. Its IUPAC name is 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate.

Molecular Properties

• Compound Name: 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
• PubChem CID: 158420692
• Molecular Formula: C98H168O14
• Molecular Weight: 1570.41 g/mol
• Exact Mass: 1569.24
• IUPAC Name: 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
• SMILES: CC(=O)OC1C2(C)CCC(C2)C1(C)C.CC(=O)OC1CC2CCC1(C)C2(C)C.CC(=O)O[C@@H]1C2(C)CCC(C2)C1(C)C.CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CCC(=O)OC1CC2CCC1(C)C2(C)C.CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CCC1(O)C2(C)CCC(C2)C1(C)C.CC[C@@]1(O)C2(C)CCC(C2)C1(C)C
• InChI: InChI=1S/2C13H22O2.4C12H20O2.2C12H22O/c2*1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;2*1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9;2*1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3;2*1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h2*9-10H,5-8H2,1-4H3;4*9-10H,5-7H2,1-4H3;2*9,13H,5-8H2,1-4H3/t9-,10-,13+;;9?,10-,12?;;9-,10+,12+;;9?,11?,12-;/m0.0.0.0./s1
• InChIKey: HALLBZLMEKZBMW-KXIQAABUSA-N
• XLogP: 23.31
• TPSA: 198.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.41
LogP ≤ 5	23.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate?

The IUPAC name of 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate (CID 158420692) is 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate.

What is the SMILES notation for 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate?

The canonical SMILES for 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate is CC(=O)OC1C2(C)CCC(C2)C1(C)C.CC(=O)OC1CC2CCC1(C)C2(C)C.CC(=O)O[C@@H]1C2(C)CCC(C2)C1(C)C.CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CCC(=O)OC1CC2CCC1(C)C2(C)C.CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CCC1(O)C2(C)CCC(C2)C1(C)C.CC[C@@]1(O)C2(C)CCC(C2)C1(C)C.

What is the InChIKey of 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate?

The InChIKey is HALLBZLMEKZBMW-KXIQAABUSA-N. The full InChI is InChI=1S/2C13H22O2.4C12H20O2.2C12H22O/c2*1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;2*1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9;2*1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3;2*1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h2*9-10H,5-8H2,1-4H3;4*9-10H,5-7H2,1-4H3;2*9,13H,5-8H2,1-4H3/t9-,10-,13+;;9?,10-,12?;;9-,10+,12+;;9?,11?,12-;/m0.0.0.0./s1.

What are the key properties of 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate?

2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate has a molecular weight of 1570.41 g/mol, XLogP of 23.31, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(2R)-2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;[(2R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate is sourced from PubChem (CID 158420692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).