butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane

C88H224 — CID 162066878

About butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane

butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane (PubChem CID 162066878) has the molecular formula C88H224 and a molecular weight of 1282.76 g/mol. Its IUPAC name is butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane.

Molecular Properties

• Compound Name: butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane
• PubChem CID: 162066878
• Molecular Formula: C88H224
• Molecular Weight: 1282.76 g/mol
• Exact Mass: 1281.75
• IUPAC Name: butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCC1.CC1CCCC1.CC1CCC[C@H]1C.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC1CC1.CCC1CCC1.CCCC.CCCCC
• InChI: InChI=1S/C7H14.2C6H12.C6H14.2C5H10.4C5H12.C4H8.2C4H10.C3H8.2C2H6.14CH4/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;1-2-6-4-3-5-6;1-5-6(2,3)4;1-5-3-2-4-5;1-2-5-3-4-5;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2;2*1-2;;;;;;;;;;;;;;/h6-7H,3-5H2,1-2H3;2*6H,2-5H2,1H3;5H2,1-4H3;2*5H,2-4H2,1H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;14*1H4/t6-,7?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1............................./s1
• InChIKey: ZAOMVLRVYQUZAR-NRYLQZEQSA-N
• XLogP: 38.50
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1282.76
LogP ≤ 5	38.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane?

The IUPAC name of butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane (CID 162066878) is butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane.

What is the SMILES notation for butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane?

The canonical SMILES for butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCC1.CC1CCCC1.CC1CCC[C@H]1C.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC1CC1.CCC1CCC1.CCCC.CCCCC.

What is the InChIKey of butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane?

The InChIKey is ZAOMVLRVYQUZAR-NRYLQZEQSA-N. The full InChI is InChI=1S/C7H14.2C6H12.C6H14.2C5H10.4C5H12.C4H8.2C4H10.C3H8.2C2H6.14CH4/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;1-2-6-4-3-5-6;1-5-6(2,3)4;1-5-3-2-4-5;1-2-5-3-4-5;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2;2*1-2;;;;;;;;;;;;;;/h6-7H,3-5H2,1-2H3;2*6H,2-5H2,1H3;5H2,1-4H3;2*5H,2-4H2,1H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;14*1H4/t6-,7?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1............................./s1.

What are the key properties of butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane?

butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane has a molecular weight of 1282.76 g/mol, XLogP of 38.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane is sourced from PubChem (CID 162066878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).