1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane

C155H246F50O17 — CID 159566931

About 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane

1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane (PubChem CID 159566931) has the molecular formula C155H246F50O17 and a molecular weight of 3331.56 g/mol. Its IUPAC name is 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane.

Molecular Properties

• Compound Name: 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane
• PubChem CID: 159566931
• Molecular Formula: C155H246F50O17
• Molecular Weight: 3331.56 g/mol
• Exact Mass: 3329.76
• IUPAC Name: 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane
• SMILES: CC(O)C12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.CC(O)C12CC3CC(CC(C3)C1)C2.CC(O)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CC(O)C1C2CC3CC(C2)CC1C3.CC(O)CC12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.CCOC.CCOC(F)C(F)(F)C(F)(F)F.CCOC1CC(C)CCC1C(C)C.CCOC1CC2CCC1C2.CCOC1CCC(C(C)(C)C)CC1.CCOC1CCCCC1.CCOC1CCCCC1C1CCCCC1.CCOCC.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1CCCCC1.CCOCCOC.FCC(F)(CF)CF
• InChI: InChI=1S/C14H26O.C13H7F15O.C13H22O.C12H5F15O.2C12H20O.2C12H24O.C9H16O.C9H18O.C8H6F10O.C8H16O.C5H6F6O.C5H12O2.C4H6F4.C4H10O.C3H8O/c1-2-15-14-11-7-6-10-13(14)12-8-4-3-5-9-12;1-3(29)2-4-8(17,18)5(14)11(23,24)6(15,9(4,19)20)13(27,28)7(16,10(4,21)22)12(5,25)26;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2(28)3-7(16,17)4(13)10(22,23)5(14,8(3,18)19)12(26,27)6(15,9(3,20)21)11(4,24)25;1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-2-10-9-6-7-3-4-8(9)5-7;1-2-10-8-9-6-4-3-5-7-9;1-2(19)3-4(9,10)6(13,14)8(17,18)7(15,16)5(3,11)12;1-2-9-8-6-4-3-5-7-8;1-2-12-3(6)4(7,8)5(9,10)11;1-3-7-5-4-6-2;5-1-4(8,2-6)3-7;1-3-5-4-2;1-3-4-2/h12-14H,2-11H2,1H3;3,29H,2H2,1H3;10-12H,2-9H2,1H3;2,28H,1H3;8-11,13H,2-7H2,1H3;7-13H,2-6H2,1H3;10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3;2-3,19H,1H3;8H,2-7H2,1H3;3H,2H2,1H3;3-5H2,1-2H3;1-3H2;3-4H2,1-2H3;3H2,1-2H3
• InChIKey: MHHXQFMVDIJFJY-UHFFFAOYSA-N
• XLogP: 45.42
• TPSA: 211.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3331.56
LogP ≤ 5	45.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane?

The IUPAC name of 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane (CID 159566931) is 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane.

What is the SMILES notation for 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane?

The canonical SMILES for 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane is CC(O)C12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.CC(O)C12CC3CC(CC(C3)C1)C2.CC(O)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CC(O)C1C2CC3CC(C2)CC1C3.CC(O)CC12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.CCOC.CCOC(F)C(F)(F)C(F)(F)F.CCOC1CC(C)CCC1C(C)C.CCOC1CC2CCC1C2.CCOC1CCC(C(C)(C)C)CC1.CCOC1CCCCC1.CCOC1CCCCC1C1CCCCC1.CCOCC.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1CCCCC1.CCOCCOC.FCC(F)(CF)CF.

What is the InChIKey of 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane?

The InChIKey is MHHXQFMVDIJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C13H7F15O.C13H22O.C12H5F15O.2C12H20O.2C12H24O.C9H16O.C9H18O.C8H6F10O.C8H16O.C5H6F6O.C5H12O2.C4H6F4.C4H10O.C3H8O/c1-2-15-14-11-7-6-10-13(14)12-8-4-3-5-9-12;1-3(29)2-4-8(17,18)5(14)11(23,24)6(15,9(4,19)20)13(27,28)7(16,10(4,21)22)12(5,25)26;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2(28)3-7(16,17)4(13)10(22,23)5(14,8(3,18)19)12(26,27)6(15,9(3,20)21)11(4,24)25;1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-2-10-9-6-7-3-4-8(9)5-7;1-2-10-8-9-6-4-3-5-7-9;1-2(19)3-4(9,10)6(13,14)8(17,18)7(15,16)5(3,11)12;1-2-9-8-6-4-3-5-7-8;1-2-12-3(6)4(7,8)5(9,10)11;1-3-7-5-4-6-2;5-1-4(8,2-6)3-7;1-3-5-4-2;1-3-4-2/h12-14H,2-11H2,1H3;3,29H,2H2,1H3;10-12H,2-9H2,1H3;2,28H,1H3;8-11,13H,2-7H2,1H3;7-13H,2-6H2,1H3;10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3;2-3,19H,1H3;8H,2-7H2,1H3;3H,2H2,1H3;3-5H2,1-2H3;1-3H2;3-4H2,1-2H3;3H2,1-2H3.

What are the key properties of 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane?

1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane has a molecular weight of 3331.56 g/mol, XLogP of 45.42, 37 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane is sourced from PubChem (CID 159566931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).