1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane

C77H154 — CID 163915226

About 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane

1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane (PubChem CID 163915226) has the molecular formula C77H154 and a molecular weight of 1080.08 g/mol. Its IUPAC name is 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane.

Molecular Properties

• Compound Name: 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane
• PubChem CID: 163915226
• Molecular Formula: C77H154
• Molecular Weight: 1080.08 g/mol
• Exact Mass: 1079.21
• IUPAC Name: 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane
• SMILES: CC1CC(C)(C)C1.CC1CC(C)(C)C1.CC1CC(C)C1C.CC1CC(C)C1C.CC1CCC1(C)C.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CC(C)C1.CCC1CCC1C.CCC1CC[C@@H]1C.C[C@H]1CCC1(C)C
• InChI: InChI=1S/11C7H14/c2*1-6-4-7(2,3)5-6;2*1-6-4-5-7(6,2)3;2*1-5-4-6(2)7(5)3;2*1-3-7-4-6(2)5-7;1-3-7(2)5-4-6-7;2*1-3-7-5-4-6(7)2/h4*6H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;2*6-7H,3-5H2,1-2H3;3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3/t;;6-;;;;;;;6-,7?;/m..0......0./s1
• InChIKey: QVQOCKUSXZVEOC-MNENHHDMSA-N
• XLogP: 26.72
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.08
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane?

The IUPAC name of 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane (CID 163915226) is 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane.

What is the SMILES notation for 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane?

The canonical SMILES for 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane is CC1CC(C)(C)C1.CC1CC(C)(C)C1.CC1CC(C)C1C.CC1CC(C)C1C.CC1CCC1(C)C.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CC(C)C1.CCC1CCC1C.CCC1CC[C@@H]1C.C[C@H]1CCC1(C)C.

What is the InChIKey of 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane?

The InChIKey is QVQOCKUSXZVEOC-MNENHHDMSA-N. The full InChI is InChI=1S/11C7H14/c2*1-6-4-7(2,3)5-6;2*1-6-4-5-7(6,2)3;2*1-5-4-6(2)7(5)3;2*1-3-7-4-6(2)5-7;1-3-7(2)5-4-6-7;2*1-3-7-5-4-6(7)2/h4*6H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;2*6-7H,3-5H2,1-2H3;3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3/t;;6-;;;;;;;6-,7?;/m..0......0./s1.

What are the key properties of 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane?

1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane has a molecular weight of 1080.08 g/mol, XLogP of 26.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane is sourced from PubChem (CID 163915226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).