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2,4,4-trimethylpent-2-ene

CAT: 1299-RG-E141246-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141246-01Size:10 mg
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CAS Number
107-40-4
Synonyms
2,4,4-trimethylpent-2-ene
Molecular Formula
C8H16
Molecular Weight
112.22
Product Name Synonym
2,4,4-trimethylpent-2-ene

Chemical Information

2,4,4-Trimethyl-2-pentene
CAS Number107-40-4
PubChem CID7869
IUPAC Name2,4,4-trimethylpent-2-ene
Molecular FormulaC8H16
Molecular Weight112.21
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
CC(=CC(C)(C)C)C
InChI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
InChIKey
LAAVYEUJEMRIGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,4-Trimethyl-2-pentene
CAS: 107-40-4
CID: 7869
Formula: C8H16
MW: 112.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.21
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass112.125200510
Monoisotopic Mass112.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19253182-012,4,4-Trimethylpent-2-enoyl-CoA
HXC93832-01Ethyl 2,4,4-trimethylpent-2-enoate
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OR909227-01(E) -3,4,4-Trimethylpent-2-enoic acid
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PC106092-Iodo-4,4,4-trifluorobut-2-ene
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sc-2602582,4,4,4-Tetrafluorobut-1-ene
AR-H01200-014,4'- (4-methylpent-2-ene-2,4-diyl) diphenol
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