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Methyl 16-methylheptadecanoate

CAT: 0024-sc-500897ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-500897ASize:100 mg
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CAS Number
5129-61-3

Chemical Information

Methyl 16-methylheptadecanoate

Methyl isostearate has been reported in Nicotiana tabacum with data available.

CAS Number5129-61-3
PubChem CID110444
IUPAC Namemethyl 16-methylheptadecanoate
Molecular FormulaC19H38O2
Molecular Weight298.5
XLogP8.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity224
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
InChIKey
KDQIFKKWPMBNOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 16-methylheptadecanoate
CAS: 5129-61-3
CID: 110444
Formula: C19H38O2
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass298.287180451
Monoisotopic Mass298.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FAA12961-01Methyl 16-methylheptadecanoate
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