tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate

C41H62F12O6 — CID 158262905

About tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate

tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate (PubChem CID 158262905) has the molecular formula C41H62F12O6 and a molecular weight of 878.92 g/mol. Its IUPAC name is tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate.

Molecular Properties

• Compound Name: tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate
• PubChem CID: 158262905
• Molecular Formula: C41H62F12O6
• Molecular Weight: 878.92 g/mol
• Exact Mass: 878.44
• IUPAC Name: tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate
• SMILES: CCCC1CC(C)C2C3CC(CC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(C3)C12.CCCC1CC(C)CC1CC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C23H34F6O3.C18H28F6O3/c1-6-7-13-8-12(2)17-14-9-15(16(10-14)18(13)17)11-21(22(24,25)26,23(27,28)29)32-19(30)31-20(3,4)5;1-6-7-12-8-11(2)9-13(12)10-16(17(19,20)21,18(22,23)24)27-14(25)26-15(3,4)5/h12-18H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
• InChIKey: GICALKIPLWLESS-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.92
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate?

The IUPAC name of tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate (CID 158262905) is tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate.

What is the SMILES notation for tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate?

The canonical SMILES for tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate is CCCC1CC(C)C2C3CC(CC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(C3)C12.CCCC1CC(C)CC1CC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate?

The InChIKey is GICALKIPLWLESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F6O3.C18H28F6O3/c1-6-7-13-8-12(2)17-14-9-15(16(10-14)18(13)17)11-21(22(24,25)26,23(27,28)29)32-19(30)31-20(3,4)5;1-6-7-12-8-11(2)9-13(12)10-16(17(19,20)21,18(22,23)24)27-14(25)26-15(3,4)5/h12-18H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3.

What are the key properties of tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate?

tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate has a molecular weight of 878.92 g/mol, XLogP of 14.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate is sourced from PubChem (CID 158262905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).