butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane

C66H130 — CID 159888503

About butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane

butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane (PubChem CID 159888503) has the molecular formula C66H130 and a molecular weight of 923.77 g/mol. Its IUPAC name is butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane.

Molecular Properties

• Compound Name: butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
• PubChem CID: 159888503
• Molecular Formula: C66H130
• Molecular Weight: 923.77 g/mol
• Exact Mass: 923.02
• IUPAC Name: butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
• SMILES: CC(C)(C)C1CCC1.CC1C(C)C(C)C1C.CC1CC(C(C)C)C1.CC1CC(C)[C@@H](C)C1.CC1CCC(C)C1C.CC1CCCC(C)C1C.CCC(C)C1CCC1.C[C@H]1CC2CCC1(C)C2
• InChI: InChI=1S/C9H16.C9H18.6C8H16/c1-7-5-8-3-4-9(7,2)6-8;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)8(3)5-6;1-6(2)8-4-7(3)5-8;1-8(2,3)7-5-4-6-7;1-6-4-5-7(2)8(6)3;1-5-6(2)8(4)7(5)3;1-3-7(2)8-5-4-6-8/h7-8H,3-6H2,1-2H3;7-9H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3/t7-,8?,9?;;6?,7-,8?;;;;;/m0.0...../s1
• InChIKey: NULCISYWRSFEHZ-MJRKCPQVSA-N
• XLogP: 22.19
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.77
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

The IUPAC name of butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane (CID 159888503) is butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane.

What is the SMILES notation for butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

The canonical SMILES for butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane is CC(C)(C)C1CCC1.CC1C(C)C(C)C1C.CC1CC(C(C)C)C1.CC1CC(C)[C@@H](C)C1.CC1CCC(C)C1C.CC1CCCC(C)C1C.CCC(C)C1CCC1.C[C@H]1CC2CCC1(C)C2.

What is the InChIKey of butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

The InChIKey is NULCISYWRSFEHZ-MJRKCPQVSA-N. The full InChI is InChI=1S/C9H16.C9H18.6C8H16/c1-7-5-8-3-4-9(7,2)6-8;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)8(3)5-6;1-6(2)8-4-7(3)5-8;1-8(2,3)7-5-4-6-7;1-6-4-5-7(2)8(6)3;1-5-6(2)8(4)7(5)3;1-3-7(2)8-5-4-6-8/h7-8H,3-6H2,1-2H3;7-9H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3/t7-,8?,9?;;6?,7-,8?;;;;;/m0.0...../s1.

What are the key properties of butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane has a molecular weight of 923.77 g/mol, XLogP of 22.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane is sourced from PubChem (CID 159888503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).