tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)

C68H145F5 — CID 158858893

About tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane) (PubChem CID 158858893) has the molecular formula C68H145F5 and a molecular weight of 1057.90 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane).

Molecular Properties

• Compound Name: tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)
• PubChem CID: 158858893
• Molecular Formula: C68H145F5
• Molecular Weight: 1057.90 g/mol
• Exact Mass: 1057.13
• IUPAC Name: tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)
• SMILES: CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CCC(C)(C)C
• InChI: InChI=1S/C10H20.C8H16.C8H18.C7H14.2C7H16.C6H14.C5H9F3.C5H10F2.C5H12/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-5-6;2*1-6(2)7(3,4)5;1-5-6(2,3)4;1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;1-5(2,3)4/h9H,4-8H2,1-3H3;7H,4-6H2,1-3H3;1-6H3;6H,4-5H2,1-3H3;2*6H,1-5H3;5H2,1-4H3;1-3H3;4H,1-3H3;1-4H3
• InChIKey: JAKFUOZORCOSSK-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 0.00 Ų
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.90
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)?

The IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane) (CID 158858893) is tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane).

What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)?

The canonical SMILES for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane) is CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.

What is the InChIKey of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)?

The InChIKey is JAKFUOZORCOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H16.C8H18.C7H14.2C7H16.C6H14.C5H9F3.C5H10F2.C5H12/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-5-6;2*1-6(2)7(3,4)5;1-5-6(2,3)4;1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;1-5(2,3)4/h9H,4-8H2,1-3H3;7H,4-6H2,1-3H3;1-6H3;6H,4-5H2,1-3H3;2*6H,1-5H3;5H2,1-4H3;1-3H3;4H,1-3H3;1-4H3.

What are the key properties of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane)?

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane) has a molecular weight of 1057.90 g/mol, XLogP of 26.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2-dimethylpropane;bis(2,2,3-trimethylbutane) is sourced from PubChem (CID 158858893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).