(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane

C57H114 — CID 167653207

About (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane

(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane (PubChem CID 167653207) has the molecular formula C57H114 and a molecular weight of 799.54 g/mol. Its IUPAC name is (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane.

Molecular Properties

• Compound Name: (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane
• PubChem CID: 167653207
• Molecular Formula: C57H114
• Molecular Weight: 799.54 g/mol
• Exact Mass: 798.89
• IUPAC Name: (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane
• SMILES: CC(C)C1CCC1.CC1CC[C@@H](C)C1.CCC1(C)CCC1.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CCCC1.CCCC1CCC1.C[C@@H]1CCC(C)(C)C1
• InChI: InChI=1S/C8H16.7C7H14/c1-7-4-5-8(2,3)6-7;1-6-3-4-7(2)5-6;1-6(2)7-4-3-5-7;1-3-7-4-6(2)5-7;2*1-3-7(2)5-4-6-7;1-2-7-5-3-4-6-7;1-2-4-7-5-3-6-7/h7H,4-6H2,1-3H3;3*6-7H,3-5H2,1-2H3;2*3-6H2,1-2H3;2*7H,2-6H2,1H3/t7-;6-,7?;;;;;;/m11....../s1
• InChIKey: QWMGEORJGYPLQH-SPQVHGEOSA-N
• XLogP: 20.51
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.54
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane?

The IUPAC name of (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane (CID 167653207) is (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane.

What is the SMILES notation for (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane?

The canonical SMILES for (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane is CC(C)C1CCC1.CC1CC[C@@H](C)C1.CCC1(C)CCC1.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CCCC1.CCCC1CCC1.C[C@@H]1CCC(C)(C)C1.

What is the InChIKey of (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane?

The InChIKey is QWMGEORJGYPLQH-SPQVHGEOSA-N. The full InChI is InChI=1S/C8H16.7C7H14/c1-7-4-5-8(2,3)6-7;1-6-3-4-7(2)5-6;1-6(2)7-4-3-5-7;1-3-7-4-6(2)5-7;2*1-3-7(2)5-4-6-7;1-2-7-5-3-4-6-7;1-2-4-7-5-3-6-7/h7H,4-6H2,1-3H3;3*6-7H,3-5H2,1-2H3;2*3-6H2,1-2H3;2*7H,2-6H2,1H3/t7-;6-,7?;;;;;;/m11....../s1.

What are the key properties of (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane?

(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane has a molecular weight of 799.54 g/mol, XLogP of 20.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane is sourced from PubChem (CID 167653207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).