1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane

C90H177F9O9 — CID 159366762

About 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane

1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane (PubChem CID 159366762) has the molecular formula C90H177F9O9 and a molecular weight of 1574.38 g/mol. Its IUPAC name is 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane.

Molecular Properties

• Compound Name: 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane
• PubChem CID: 159366762
• Molecular Formula: C90H177F9O9
• Molecular Weight: 1574.38 g/mol
• Exact Mass: 1573.32
• IUPAC Name: 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane
• SMILES: CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C1(C(=O)O)CC1.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)C1(C)CCC1.CC(C)(C)[C@@H](C(=O)O)C(F)(F)F.CC(C)(C)[C@H](C(=O)O)C(F)(F)F.CC(C)[C@@H](C)C(C)(C)C.CC[C@@H](C)C(C)(C)C.COC[C@@H](C)C(C)(C)C.C[C@H](C(=O)O)C(C)(C)C.C[C@H](C1CC1)C(C)(C)C
• InChI: InChI=1S/C10H22.2C9H18.C9H20.C8H13F3.C8H14O2.C8H18O.C8H18.2C7H11F3O2.C7H14O2/c1-8(9(2,3)4)10(5,6)7;1-8(2,3)9(4)6-5-7-9;1-7(8-5-6-8)9(2,3)4;1-7(2)8(3)9(4,5)6;1-6(2,3)7(4-5-7)8(9,10)11;1-7(2,3)8(4-5-8)6(9)10;1-7(6-9-5)8(2,3)4;1-6-7(2)8(3,4)5;2*1-6(2,3)4(5(11)12)7(8,9)10;1-5(6(8)9)7(2,3)4/h8H,1-7H3;5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,1-6H3;4-5H2,1-3H3;4-5H2,1-3H3,(H,9,10);7H,6H2,1-5H3;7H,6H2,1-5H3;2*4H,1-3H3,(H,11,12);5H,1-4H3,(H,8,9)/t;;7-;8-;;;2*7-;2*4-;5-/m..11..11101/s1
• InChIKey: LJFNUUKITFOLMB-JUEWQPOZSA-N
• XLogP: 30.35
• TPSA: 158.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1574.38
LogP ≤ 5	30.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane?

The IUPAC name of 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane (CID 159366762) is 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane.

What is the SMILES notation for 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane?

The canonical SMILES for 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane is CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C1(C(=O)O)CC1.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)C1(C)CCC1.CC(C)(C)[C@@H](C(=O)O)C(F)(F)F.CC(C)(C)[C@H](C(=O)O)C(F)(F)F.CC(C)[C@@H](C)C(C)(C)C.CC[C@@H](C)C(C)(C)C.COC[C@@H](C)C(C)(C)C.C[C@H](C(=O)O)C(C)(C)C.C[C@H](C1CC1)C(C)(C)C.

What is the InChIKey of 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane?

The InChIKey is LJFNUUKITFOLMB-JUEWQPOZSA-N. The full InChI is InChI=1S/C10H22.2C9H18.C9H20.C8H13F3.C8H14O2.C8H18O.C8H18.2C7H11F3O2.C7H14O2/c1-8(9(2,3)4)10(5,6)7;1-8(2,3)9(4)6-5-7-9;1-7(8-5-6-8)9(2,3)4;1-7(2)8(3)9(4,5)6;1-6(2,3)7(4-5-7)8(9,10)11;1-7(2,3)8(4-5-8)6(9)10;1-7(6-9-5)8(2,3)4;1-6-7(2)8(3,4)5;2*1-6(2,3)4(5(11)12)7(8,9)10;1-5(6(8)9)7(2,3)4/h8H,1-7H3;5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,1-6H3;4-5H2,1-3H3;4-5H2,1-3H3,(H,9,10);7H,6H2,1-5H3;7H,6H2,1-5H3;2*4H,1-3H3,(H,11,12);5H,1-4H3,(H,8,9)/t;;7-;8-;;;2*7-;2*4-;5-/m..11..11101/s1.

What are the key properties of 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane?

1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane has a molecular weight of 1574.38 g/mol, XLogP of 30.35, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopropane-1-carboxylic acid;1-tert-butyl-1-methylcyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;(2R)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-3,3-dimethyl-2-(trifluoromethyl)butanoic acid;(2S)-1-methoxy-2,3,3-trimethylbutane;2,2,3,4,4-pentamethylpentane;(3R)-2,2,3,4-tetramethylpentane;(2S)-2,3,3-trimethylbutanoic acid;(3R)-2,2,3-trimethylpentane is sourced from PubChem (CID 159366762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).