butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane

C72H144 — CID 163608316

About butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane

butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane (PubChem CID 163608316) has the molecular formula C72H144 and a molecular weight of 1009.94 g/mol. Its IUPAC name is butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane.

Molecular Properties

• Compound Name: butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
• PubChem CID: 163608316
• Molecular Formula: C72H144
• Molecular Weight: 1009.94 g/mol
• Exact Mass: 1009.13
• IUPAC Name: butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
• SMILES: CC1C(C)C(C)C1C.CC1CC(C(C)C)C1.CC1CC(C)C(C)C1.CC1CC(C)[C@@H](C)C1.CC1CCC(C)(C)C1.CC1CCC(C)C1C.CC1CCC(C)C1C.CC1CCCC1(C)C.CCC(C)C1CCC1
• InChI: InChI=1S/9C8H16/c2*1-6-4-7(2)8(3)5-6;1-6(2)8-4-7(3)5-8;1-7-4-5-8(2,3)6-7;1-7-5-4-6-8(7,2)3;2*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/h3*6-8H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3/t6?,7-,8?;;;;;;;;/m0......../s1
• InChIKey: HDSOYGXEEZSTCR-CXPOYGCZSA-N
• XLogP: 24.48
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.94
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

The IUPAC name of butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane (CID 163608316) is butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane.

What is the SMILES notation for butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

The canonical SMILES for butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane is CC1C(C)C(C)C1C.CC1CC(C(C)C)C1.CC1CC(C)C(C)C1.CC1CC(C)[C@@H](C)C1.CC1CCC(C)(C)C1.CC1CCC(C)C1C.CC1CCC(C)C1C.CC1CCCC1(C)C.CCC(C)C1CCC1.

What is the InChIKey of butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

The InChIKey is HDSOYGXEEZSTCR-CXPOYGCZSA-N. The full InChI is InChI=1S/9C8H16/c2*1-6-4-7(2)8(3)5-6;1-6(2)8-4-7(3)5-8;1-7-4-5-8(2,3)6-7;1-7-5-4-6-8(7,2)3;2*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/h3*6-8H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3/t6?,7-,8?;;;;;;;;/m0......../s1.

What are the key properties of butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane?

butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane has a molecular weight of 1009.94 g/mol, XLogP of 24.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane is sourced from PubChem (CID 163608316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).