2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane

C58H134 — CID 165035970

IUPAC2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane
SMILESCC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CCC(C)C.CCC(C)CC(C)C.CCC(CC)C(C)C.CCCC(C)C.CCCCC(C)C
InChIInChI=1S/2C8H18.3C7H16.2C6H14.C5H12.C4H10/c1-5-8(4)6-7(2)3;1-5-8(6-2)7(3)4;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h2*7-8H,5-6H2,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyNJPYPSVBVQQORD-UHFFFAOYSA-N
MW831.71 g/mol
LogP22.82
Rot. Bonds15

About 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane

2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane (PubChem CID 165035970) has the molecular formula C58H134 and a molecular weight of 831.71 g/mol. Its IUPAC name is 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane
PubChem CID165035970
Molecular FormulaC58H134
Molecular Weight831.71 g/mol
Exact Mass831.05
IUPAC Name2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane
SMILESCC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CCC(C)C.CCC(C)CC(C)C.CCC(CC)C(C)C.CCCC(C)C.CCCCC(C)C
InChIInChI=1S/2C8H18.3C7H16.2C6H14.C5H12.C4H10/c1-5-8(4)6-7(2)3;1-5-8(6-2)7(3)4;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h2*7-8H,5-6H2,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyNJPYPSVBVQQORD-UHFFFAOYSA-N
XLogP22.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.71
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane with MolForge

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Related Compounds

2,3-dimethylbutane;2,3-dimethylhexane;2,4-dimethylhexane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2-methylbutane;2-methylheptane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3,4-tetramethylpentane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
CID 167626582
2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane
CID 167658483
3-methylheptane;2-methylpentane
CID 165405793
2-methylhexane;3-methylhexane
CID 123646192
2,4-dimethylhexane;hexane
CID 174686373
cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane
CID 174511255
bis(2,4-dimethylhexane);2,4-dimethylpentane;1-ethyl-1-(2-methylpropyl)cyclopropane;2-methylhexane;2-methylpentane;propane;2,4,4-trimethylhexane
CID 157194642
methane;2-methylbutane;2-methylhexane
CID 167665387
3-ethyl-2-methyl-5-(2-methylpropyl)nonane
CID 123359342
2,5-dimethylhexane;bis(2,2-dimethylpentane);2,4-dimethylpentane;(3S)-2,3-dimethylpentane;heptane;methylcyclopentane;2-methylhexane;3-methylhexane;(3R)-3-methylhexane;2,2,3-trimethylbutane
CID 158558499
(4S)-2,4-dimethylhexane
CID 22810193
2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
CID 158588329

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane?
The IUPAC name of 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane (CID 165035970) is 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane.
What is the SMILES notation for 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane?
The canonical SMILES for 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane is CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CCC(C)C.CCC(C)CC(C)C.CCC(CC)C(C)C.CCCC(C)C.CCCCC(C)C.
What is the InChIKey of 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane?
The InChIKey is NJPYPSVBVQQORD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18.3C7H16.2C6H14.C5H12.C4H10/c1-5-8(4)6-7(2)3;1-5-8(6-2)7(3)4;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h2*7-8H,5-6H2,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane?
2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane has a molecular weight of 831.71 g/mol, XLogP of 22.82, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2,4-dimethylhexane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylhexane;2-methylpentane;2-methylpropane;2,2,3-trimethylbutane is sourced from PubChem (CID 165035970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).