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Limonene

CAT: 1299-RM-L130519-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L130519-03Size:50 mg
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CAS Number
138-86-3
Synonyms
1-methyl-4- (prop-1-en-2-yl) cyclohex-1-ene
Molecular Formula
C10H16
Molecular Weight
136.24
Target Alternative Name
Limonene
Product Name Synonym
1-methyl-4- (prop-1-en-2-yl) cyclohex-1-ene

Chemical Information

1-Methyl-4-Prop-1-En-2-Ylcyclohexene

Limonene is a monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. It has a role as a human metabolite. It is a cycloalkene and a p-menthadiene.

CAS Number138-86-3
PubChem CID22311
IUPAC Name1-methyl-4-prop-1-en-2-ylcyclohexene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity163
SMILES
CC1=CCC(CC1)C(=C)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
InChIKey
XMGQYMWWDOXHJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CAS: 138-86-3
CID: 22311
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS641104-01D-Limonene (R-(+)-Limonene)
BA1488-100Limonene
T8026-01(-) -Limonene
TRC-L461753-1G(±)-Limonene
AR-L06107-01(±) -Limonene
TRC-L461745-5G(-)-Limonene
TRC-L461740-25ML(+)-Limonene
OR1078301-01(+/-) -Limonene
164754(+) -Limonene discontinued
T32756-01Limonene oxide, (-) -

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