2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane

C112H216F24O9 — CID 161443819

About 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane (PubChem CID 161443819) has the molecular formula C112H216F24O9 and a molecular weight of 2162.90 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane.

Molecular Properties

• Compound Name: 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane
• PubChem CID: 161443819
• Molecular Formula: C112H216F24O9
• Molecular Weight: 2162.90 g/mol
• Exact Mass: 2161.61
• IUPAC Name: 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CCCO)C(C2)C1C.CC1C2CC(CCO)C(C2)C1C.CC1C2CC(CO)C(C2)C1C.CC1C2CC(COCO)C(C2)C1C
• InChI: InChI=1S/4C13H18F6O.C12H22O.C11H20O2.C11H20O.C10H18O.16CH4/c4*1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-8-9(2)12-7-11(8)6-10(12)4-3-5-13;1-7-8(2)11-4-9(7)3-10(11)5-13-6-12;1-7-8(2)11-6-10(7)5-9(11)3-4-12;1-6-7(2)10-4-8(6)3-9(10)5-11;;;;;;;;;;;;;;;;/h4*6-10,20H,3-5H2,1-2H3;8-13H,3-7H2,1-2H3;7-12H,3-6H2,1-2H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;16*1H4
• InChIKey: VZQBJUJTTFVUFF-UHFFFAOYSA-N
• XLogP: 35.59
• TPSA: 171.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.90
LogP ≤ 5	35.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane?

The IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane (CID 161443819) is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane.

What is the SMILES notation for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane?

The canonical SMILES for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CCCO)C(C2)C1C.CC1C2CC(CCO)C(C2)C1C.CC1C2CC(CO)C(C2)C1C.CC1C2CC(COCO)C(C2)C1C.

What is the InChIKey of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane?

The InChIKey is VZQBJUJTTFVUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H18F6O.C12H22O.C11H20O2.C11H20O.C10H18O.16CH4/c4*1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-8-9(2)12-7-11(8)6-10(12)4-3-5-13;1-7-8(2)11-4-9(7)3-10(11)5-13-6-12;1-7-8(2)11-6-10(7)5-9(11)3-4-12;1-6-7(2)10-4-8(6)3-9(10)5-11;;;;;;;;;;;;;;;;/h4*6-10,20H,3-5H2,1-2H3;8-13H,3-7H2,1-2H3;7-12H,3-6H2,1-2H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;16*1H4.

What are the key properties of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane?

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane has a molecular weight of 2162.90 g/mol, XLogP of 35.59, 17 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane is sourced from PubChem (CID 161443819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).