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Cis-9,10-Methyleneoctadecanoic Acid methyl ester

CAT: 0931-T85272-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85272-01Size:10 mg
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CAS Number
3971-54-8
Target
Others
Related Pathways
Others
Bioactivity
Cis-9,10-Methyleneoctadecanoic acid methyl ester, a cyclopropane fatty acid methyl ester, stimulates DNA synthesis in rat hepatocytes and serves as a standard for quantifying cis-9,10-methyleneoctadecanoic acid in bacterial membranes through co-chromatography. [Matreya, LLC. Catalog No. 1823]
Smiles
CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)OC
Molecular Formula
C20H38O2
Molecular Weight
310.522
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate

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CAS Number3971-54-8
PubChem CID107485
IUPAC Namemethyl 8-[(1S,2R)-2-octylcyclopropyl]octanoate
Molecular FormulaC20H38O2
Molecular Weight310.5
XLogP8.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity275
SMILES
CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OC
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m1/s1
InChIKey
WKDUVICSOMXTKJ-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
CAS: 3971-54-8
CID: 107485
Formula: C20H38O2
MW: 310.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.5
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass310.287180451
Monoisotopic Mass310.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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