bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)

C32H80 — CID 160526699

IUPACbis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
SMILESC.C.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C
InChIInChI=1S/2C8H18.2C5H12.2C2H6.2CH4/c2*1-7(2,3)8(4,5)6;2*1-5(2,3)4;2*1-2;;/h2*1-6H3;2*1-4H3;2*1-2H3;2*1H4
InChIKeyQUZNUTMHDWXSKV-UHFFFAOYSA-N
MW464.99 g/mol
LogP13.59
Rot. Bonds

About bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)

bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane) (PubChem CID 160526699) has the molecular formula C32H80 and a molecular weight of 464.99 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane).

Molecular Properties

Compound Namebis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
PubChem CID160526699
Molecular FormulaC32H80
Molecular Weight464.99 g/mol
Exact Mass464.63
IUPAC Namebis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
SMILESC.C.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C
InChIInChI=1S/2C8H18.2C5H12.2C2H6.2CH4/c2*1-7(2,3)8(4,5)6;2*1-5(2,3)4;2*1-2;;/h2*1-6H3;2*1-4H3;2*1-2H3;2*1H4
InChIKeyQUZNUTMHDWXSKV-UHFFFAOYSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpropane;ethane;methane
CID 157153388
bis(2,2-dimethylpropane);ethane;methane
CID 161072251
2,2,3,3-tetramethylbutane;vanadium
CID 158970328
2,2-dimethylpropane;ethane;ethene
CID 143720811
ethane;prop-1-ene;2,2,3,3-tetramethylbutane
CID 153390024
ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
CID 162254065
CID 162002766
CID 162002766
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
2,2-dimethylpropane;meitnerium;methane;methanolate
CID 161068030
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
ethane;methane
CID 159598095

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)?
The IUPAC name of bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane) (CID 160526699) is bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane).
What is the SMILES notation for bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)?
The canonical SMILES for bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane) is C.C.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)?
The InChIKey is QUZNUTMHDWXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18.2C5H12.2C2H6.2CH4/c2*1-7(2,3)8(4,5)6;2*1-5(2,3)4;2*1-2;;/h2*1-6H3;2*1-4H3;2*1-2H3;2*1H4.
What are the key properties of bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)?
bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane) has a molecular weight of 464.99 g/mol, XLogP of 13.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane) is sourced from PubChem (CID 160526699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).