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3,5-Dimethyl-3-heptene

CAT: 0572-TRC-D461708-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D461708-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59643-68-4
Hazard Statement
No Data Available
Smiles
CCC(C)\C=C(/C)\CC
Molecular Formula
C9 H18
Molecular Weight
126.239
InChI
InChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h7-8H,5-6H2,1-4H3/b9-7+
Additionnal Information
IUPAC name: (E)-3,5-dimethylhept-3-ene
Shipping Conditions
Room Temperature

Chemical Information

3,5-Dimethyl-3-heptene
CAS Number59643-68-4
PubChem CID5364776
IUPAC Name(E)-3,5-dimethylhept-3-ene
Molecular FormulaC9H18
Molecular Weight126.24
XLogP4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CCC(C)/C=C(\C)/CC
InChI
InChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h7-8H,5-6H2,1-4H3/b9-7+
InChIKey
OXOLZWHOQAEIAW-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethyl-3-heptene
CAS: 59643-68-4
CID: 5364776
Formula: C9H18
MW: 126.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.24
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass126.140850574
Monoisotopic Mass126.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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