ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

C71H161N3O6 — CID 161498767

About ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (PubChem CID 161498767) has the molecular formula C71H161N3O6 and a molecular weight of 1153.08 g/mol. Its IUPAC name is ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
• PubChem CID: 161498767
• Molecular Formula: C71H161N3O6
• Molecular Weight: 1153.08 g/mol
• Exact Mass: 1152.24
• IUPAC Name: ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCO1.CC(C)C1CCNC1.CC(C)C1COCO1.CC(C)C1NCCO1.CC(C)C1OCCO1.CC(C)N1CCCC1
• InChI: InChI=1S/2C8H16.2C7H15N.C7H14O.C6H13NO.2C6H12O2.8C2H6/c2*1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;8*1-2/h2*7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3;8*1-2H3
• InChIKey: WGOGOERARJYQIA-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 82.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.08
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

The IUPAC name of ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (CID 161498767) is ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

What is the SMILES notation for ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

The canonical SMILES for ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCO1.CC(C)C1CCNC1.CC(C)C1COCO1.CC(C)C1NCCO1.CC(C)C1OCCO1.CC(C)N1CCCC1.

What is the InChIKey of ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

The InChIKey is WGOGOERARJYQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16.2C7H15N.C7H14O.C6H13NO.2C6H12O2.8C2H6/c2*1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;8*1-2/h2*7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3;8*1-2H3.

What are the key properties of ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine has a molecular weight of 1153.08 g/mol, XLogP of 21.06, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 161498767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).