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2,2,4,4-Tetramethylpentane

CAT: 0127-OR1026768-01Size: 1 mLDry Ice: NoHazardous: No
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CAS Number
1070-87-7
Synonyms
2,2,4,4-tetramethylpentane
Purity
98%
Smiles
CC (C) (C) CC (C) (C) C

Chemical Information

2,2,4,4-Tetramethylpentane
CAS Number1070-87-7
PubChem CID14058
IUPAC Name2,2,4,4-tetramethylpentane
Molecular FormulaC9H20
Molecular Weight128.25
XLogP4.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
CC(C)(C)CC(C)(C)C
InChI
InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
InChIKey
GUMULFRCHLJNDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,4,4-Tetramethylpentane
CAS: 1070-87-7
CID: 14058
Formula: C9H20
MW: 128.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight128.25
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass128.156500638
Monoisotopic Mass128.156500638
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.2
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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