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3,4-Dimethyl-1-octene

CAT: 0572-TRC-D481458-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D481458-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56728-11-1
Hazard Statement
No Data Available
Smiles
CCCCC(C)C(C)C=C
Molecular Formula
C10 H20
Molecular Weight
140.266
InChI
InChI=1S/C10H20/c1-5-7-8-10(4)9(3)6-2/h6,9-10H,2,5,7-8H2,1,3-4H3
Additionnal Information
IUPAC name: 3,4-dimethyloct-1-ene
Shipping Conditions
Room Temperature

Chemical Information

3,4-Dimethyl-1-octene
CAS Number56728-11-1
PubChem CID538230
IUPAC Name3,4-dimethyloct-1-ene
Molecular FormulaC10H20
Molecular Weight140.27
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity84
SMILES
CCCCC(C)C(C)C=C
InChI
InChI=1S/C10H20/c1-5-7-8-10(4)9(3)6-2/h6,9-10H,2,5,7-8H2,1,3-4H3
InChIKey
YTSRERQJKSQJPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethyl-1-octene
CAS: 56728-11-1
CID: 538230
Formula: C10H20
MW: 140.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.27
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass140.156500638
Monoisotopic Mass140.156500638
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity84
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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