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175786-52-4

175786-52-4 | Carbonic acid, 2-methyltetradecyl 2-methyltridecyl ester (9CI)

CAS No: 175786-52-4 Catalog No: AG00216N MDL No:

Product Description

Catalog Number:
AG00216N
Chemical Name:
Carbonic acid, 2-methyltetradecyl 2-methyltridecyl ester (9CI)
CAS Number:
175786-52-4
Molecular Formula:
C30H60O3
Molecular Weight:
468.7956
IUPAC Name:
2-methyltetradecyl 2-methyltridecyl carbonate
InChI:
InChI=1S/C30H60O3/c1-5-7-9-11-13-15-17-19-21-23-25-29(4)27-33-30(31)32-26-28(3)24-22-20-18-16-14-12-10-8-6-2/h28-29H,5-27H2,1-4H3
InChI Key:
DVYOIPPIZJPQSE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(COC(=O)OCC(CCCCCCCCCCC)C)C

Properties

Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.454g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.807g/mol
Monoisotopic Mass:
468.454g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2  

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