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2-Decyldodecanoic Acid Methyl Ester

CAT: 0572-TRC-D227110-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D227110-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
180476-33-9
Synonyms
Methyl 2-decyldodecanoate
Hazard Statement
No Data Available
Smiles
O=C(OC)C(CCCCCCCCCC)CCCCCCCCCC
Molecular Formula
C23H46O2
Molecular Weight
354.61
InChI
InChI=1S/C23H46O2/c1-4-6-8-10-12-14-16-18-20-22(23(24)25-3)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
Additionnal Information
IUPAC name: methyl 2-decyldodecanoate
Shipping Conditions
Room Temperature

Chemical Information

Methyl 2-decyldodecanoate
CAS Number180476-33-9
PubChem CID15298642
IUPAC Namemethyl 2-decyldodecanoate
Molecular FormulaC23H46O2
Molecular Weight354.6
XLogP10.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Heavy Atom Count25
Formal Charge0
Complexity255
SMILES
CCCCCCCCCCC(CCCCCCCCCC)C(=O)OC
InChI
InChI=1S/C23H46O2/c1-4-6-8-10-12-14-16-18-20-22(23(24)25-3)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKey
FVXZCOIVSLGPAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-decyldodecanoate
CAS: 180476-33-9
CID: 15298642
Formula: C23H46O2
MW: 354.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.6
XLogP310.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass354.349780706
Monoisotopic Mass354.349780706
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity255
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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