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Methyloct-3-ene

CAT: 0572-TRC-M380645-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M380645-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116595-25-6
Synonyms
4-Methyl-3-octene
Hazard Statement
No Data Available
Smiles
CCCC\C(=C/CC)\C
Molecular Formula
C9H18
Molecular Weight
126.24
Shipping Conditions
Room Temperature

Chemical Information

Methyloct-3-ene
CAS Number116595-25-6
PubChem CID12841281
IUPAC Name(E)-4-methyloct-3-ene
Molecular FormulaC9H18
Molecular Weight126.24
XLogP4.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CCCC/C(=C/CC)/C
InChI
InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKey
MRVHCIQKWVEYFC-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of Methyloct-3-ene
CAS: 116595-25-6
CID: 12841281
Formula: C9H18
MW: 126.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.24
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass126.140850574
Monoisotopic Mass126.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity80
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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