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3,3-Dimethyldecane

CAT: 1596-AR-D06594-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06594-02Size:25 Units
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CAS Number
17302-38-4
Molecular Formula
C12H26
Molecular Weight
170.34
API Name
Decane

Chemical Information

3,3-Dimethyldecane
CAS Number17302-38-4
PubChem CID15930785
IUPAC Name3,3-dimethyldecane
Molecular FormulaC12H26
Molecular Weight170.33
XLogP6.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity92
SMILES
CCCCCCCC(C)(C)CC
InChI
InChI=1S/C12H26/c1-5-7-8-9-10-11-12(3,4)6-2/h5-11H2,1-4H3
InChIKey
URERYYDSQOIHQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Dimethyldecane
CAS: 17302-38-4
CID: 15930785
Formula: C12H26
MW: 170.33
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight170.33
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass170.203450829
Monoisotopic Mass170.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity92.2
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