2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane

C21H47+ — CID 157119351

IUPAC2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane
SMILESCC(C)(C)C.CC(C)(C)CCC(C)(C)C.[CH2+]C(C)(C)CC
InChIInChI=1S/C10H22.C6H13.C5H12/c1-9(2,3)7-8-10(4,5)6;1-5-6(2,3)4;1-5(2,3)4/h7-8H2,1-6H3;2,5H2,1,3-4H3;1-4H3/q;+1;
InChIKeyAHUAWLVCYHGDBP-UHFFFAOYSA-N
MW299.61 g/mol
LogP8.17
Rot. Bonds2

About 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane

2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane (PubChem CID 157119351) has the molecular formula C21H47+ and a molecular weight of 299.61 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane
PubChem CID157119351
Molecular FormulaC21H47+
Molecular Weight299.61 g/mol
Exact Mass299.37
IUPAC Name2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane
SMILESCC(C)(C)C.CC(C)(C)CCC(C)(C)C.[CH2+]C(C)(C)CC
InChIInChI=1S/C10H22.C6H13.C5H12/c1-9(2,3)7-8-10(4,5)6;1-5-6(2,3)4;1-5(2,3)4/h7-8H2,1-6H3;2,5H2,1,3-4H3;1-4H3/q;+1;
InChIKeyAHUAWLVCYHGDBP-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.61
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane?
The IUPAC name of 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane (CID 157119351) is 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane.
What is the SMILES notation for 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane?
The canonical SMILES for 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane is CC(C)(C)C.CC(C)(C)CCC(C)(C)C.[CH2+]C(C)(C)CC.
What is the InChIKey of 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane?
The InChIKey is AHUAWLVCYHGDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C6H13.C5H12/c1-9(2,3)7-8-10(4,5)6;1-5-6(2,3)4;1-5(2,3)4/h7-8H2,1-6H3;2,5H2,1,3-4H3;1-4H3/q;+1;.
What are the key properties of 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane?
2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane has a molecular weight of 299.61 g/mol, XLogP of 8.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane is sourced from PubChem (CID 157119351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).