2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane

C44H114 — CID 159604083

IUPAC2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
SMILESC.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C8H18.2C7H16.C6H14.C5H12.C4H10.7CH4/c1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4;1-5(2,3)4;1-4(2)3;;;;;;;/h1-6H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3;4H,1-3H3;7*1H4
InChIKeyMLVVPJJPKHICMJ-UHFFFAOYSA-N
MW643.40 g/mol
LogP19.21
Rot. Bonds1

About 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane

2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane (PubChem CID 159604083) has the molecular formula C44H114 and a molecular weight of 643.40 g/mol. Its IUPAC name is 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
PubChem CID159604083
Molecular FormulaC44H114
Molecular Weight643.40 g/mol
Exact Mass642.89
IUPAC Name2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
SMILESC.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C8H18.2C7H16.C6H14.C5H12.C4H10.7CH4/c1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4;1-5(2,3)4;1-4(2)3;;;;;;;/h1-6H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3;4H,1-3H3;7*1H4
InChIKeyMLVVPJJPKHICMJ-UHFFFAOYSA-N
XLogP19.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.40
LogP ≤ 519.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166
bis(2,2-dimethylpentane);methane
CID 159859974
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane
CID 167619749
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
2,2-dimethylpentane;ethane;propane
CID 156751345
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
CID 57491483
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
methane;2,2,6-trimethyl-5-propan-2-ylheptane
CID 160668864
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;3-ethyl-2,2-dimethylpentane;3-ethyl-2,2,3-trimethylpentane;1-fluoro-1,4,4-trimethylcyclohexane;1,1,1-trifluoro-2,2,4-trimethyl-3-propan-2-ylpentane;2,2,3-trimethylbutane
CID 165039353

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
The IUPAC name of 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane (CID 159604083) is 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane.
What is the SMILES notation for 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
The canonical SMILES for 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane is C.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)C.CC(C)C(C)(C)C.CCC(C)(C)C.CCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
The InChIKey is MLVVPJJPKHICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.2C7H16.C6H14.C5H12.C4H10.7CH4/c1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4;1-5(2,3)4;1-4(2)3;;;;;;;/h1-6H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3;4H,1-3H3;7*1H4.
What are the key properties of 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane has a molecular weight of 643.40 g/mol, XLogP of 19.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane is sourced from PubChem (CID 159604083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).