2,2-dimethylpropane;ethane;ethene

C13H34 — CID 143720811

IUPAC2,2-dimethylpropane;ethane;ethene
SMILESC=C.CC.CC.CC.CC(C)(C)C
InChIInChI=1S/C5H12.3C2H6.C2H4/c1-5(2,3)4;4*1-2/h1-4H3;3*1-2H3;1-2H2
InChIKeyDHYJDIVCNCBSBV-UHFFFAOYSA-N
MW190.41 g/mol
LogP5.93
Rot. Bonds

About 2,2-dimethylpropane;ethane;ethene

2,2-dimethylpropane;ethane;ethene (PubChem CID 143720811) has the molecular formula C13H34 and a molecular weight of 190.41 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;ethene.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;ethene
PubChem CID143720811
Molecular FormulaC13H34
Molecular Weight190.41 g/mol
Exact Mass190.27
IUPAC Name2,2-dimethylpropane;ethane;ethene
SMILESC=C.CC.CC.CC.CC(C)(C)C
InChIInChI=1S/C5H12.3C2H6.C2H4/c1-5(2,3)4;4*1-2/h1-4H3;3*1-2H3;1-2H2
InChIKeyDHYJDIVCNCBSBV-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500190.41
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;ethane;methane
CID 157153388
bis(2,2-dimethylpropane);ethane;methane
CID 161072251
ethane;ethene
CID 143337551
ethane;ethene
CID 143720951
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
ethene;1,1,1-trifluoroethane
CID 175131333
bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
CID 160526699
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
2,2-dimethylpropane;molecular hydrogen
CID 142995896
butane;2,2-dimethylpropane;ethane;propane
CID 142459037

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;ethene?
The IUPAC name of 2,2-dimethylpropane;ethane;ethene (CID 143720811) is 2,2-dimethylpropane;ethane;ethene.
What is the SMILES notation for 2,2-dimethylpropane;ethane;ethene?
The canonical SMILES for 2,2-dimethylpropane;ethane;ethene is C=C.CC.CC.CC.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;ethane;ethene?
The InChIKey is DHYJDIVCNCBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3C2H6.C2H4/c1-5(2,3)4;4*1-2/h1-4H3;3*1-2H3;1-2H2.
What are the key properties of 2,2-dimethylpropane;ethane;ethene?
2,2-dimethylpropane;ethane;ethene has a molecular weight of 190.41 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;ethene is sourced from PubChem (CID 143720811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).