2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane

C106H242 — CID 167626582

About 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane

2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane (PubChem CID 167626582) has the molecular formula C106H242 and a molecular weight of 1517.10 g/mol. Its IUPAC name is 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane.

Molecular Properties

• Compound Name: 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
• PubChem CID: 167626582
• Molecular Formula: C106H242
• Molecular Weight: 1517.10 g/mol
• Exact Mass: 1515.89
• IUPAC Name: 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
• SMILES: CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C(C)C(C)(C)C.CC(C)C(C)C(C)C.CC(C)CC(C)C.CC(C)CCC(C)C.CCC(C)(C)C(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)CC(C)C.CCCC(C)C.CCCC(C)C(C)C.CCCCC(C)C.CCCCCC(C)C
• InChI: InChI=1S/C9H20.6C8H18.4C7H16.2C6H14.C5H12.C4H10/c1-7(2)8(3)9(4,5)6;1-7(2)5-6-8(3)4;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4;1-5-8(4)6-7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5-7(4)6(2)3;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h7-8H,1-6H3;7-8H,5-6H2,1-4H3;7H,6H2,1-5H3;6-8H,1-5H3;2*7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6H,1-5H3;2*6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3
• InChIKey: NENULWJGJKHKPB-UHFFFAOYSA-N
• XLogP: 41.15
• TPSA: 0.00 Ų
• Rotatable Bonds: 29
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1517.10
LogP ≤ 5	41.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

The IUPAC name of 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane (CID 167626582) is 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane.

What is the SMILES notation for 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

The canonical SMILES for 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane is CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C(C)C(C)(C)C.CC(C)C(C)C(C)C.CC(C)CC(C)C.CC(C)CCC(C)C.CCC(C)(C)C(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)CC(C)C.CCCC(C)C.CCCC(C)C(C)C.CCCCC(C)C.CCCCCC(C)C.

What is the InChIKey of 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

The InChIKey is NENULWJGJKHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.6C8H18.4C7H16.2C6H14.C5H12.C4H10/c1-7(2)8(3)9(4,5)6;1-7(2)5-6-8(3)4;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4;1-5-8(4)6-7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5-7(4)6(2)3;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h7-8H,1-6H3;7-8H,5-6H2,1-4H3;7H,6H2,1-5H3;6-8H,1-5H3;2*7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6H,1-5H3;2*6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3.

What are the key properties of 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane has a molecular weight of 1517.10 g/mol, XLogP of 41.15, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane is sourced from PubChem (CID 167626582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).