2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane

C24H50 — CID 144517677

IUPAC2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
SMILESCC.CC.CC(C)(C)C.CCC.Cc1cccc(CC(C)(C)C)c1
InChIInChI=1S/C12H18.C5H12.C3H8.2C2H6/c1-10-6-5-7-11(8-10)9-12(2,3)4;1-5(2,3)4;1-3-2;2*1-2/h5-8H,9H2,1-4H3;1-4H3;3H2,1-2H3;2*1-2H3
InChIKeyBXTIYOGRFHURSE-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.10
Rot. Bonds1

About 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane

2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane (PubChem CID 144517677) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane.

Molecular Properties

Compound Name2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
PubChem CID144517677
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
SMILESCC.CC.CC(C)(C)C.CCC.Cc1cccc(CC(C)(C)C)c1
InChIInChI=1S/C12H18.C5H12.C3H8.2C2H6/c1-10-6-5-7-11(8-10)9-12(2,3)4;1-5(2,3)4;1-3-2;2*1-2/h5-8H,9H2,1-4H3;1-4H3;3H2,1-2H3;2*1-2H3
InChIKeyBXTIYOGRFHURSE-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;propane;1,3-xylene
CID 144528046
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
2,2-dimethylpropane;ethane;3-methylphenol;propane
CID 143588830
ethane;pentane;1,3-xylene
CID 142052962
1-(4-bromo-2,2-dimethylpentyl)-3-methylbenzene
CID 64715591
ethane;1,3-xylene
CID 54570178
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane?
The IUPAC name of 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane (CID 144517677) is 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane.
What is the SMILES notation for 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane?
The canonical SMILES for 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane is CC.CC.CC(C)(C)C.CCC.Cc1cccc(CC(C)(C)C)c1.
What is the InChIKey of 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane?
The InChIKey is BXTIYOGRFHURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C5H12.C3H8.2C2H6/c1-10-6-5-7-11(8-10)9-12(2,3)4;1-5(2,3)4;1-3-2;2*1-2/h5-8H,9H2,1-4H3;1-4H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane?
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane has a molecular weight of 338.66 g/mol, XLogP of 9.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane is sourced from PubChem (CID 144517677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).