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1001-80-5 | Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester
CAS No: 1001-80-5 Catalog No: AG0000XW MDL No:
Product Description
Catalog Number:
AG0000XW
Chemical Name:
Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester
CAS Number:
1001-80-5
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
methyl 2,6,10,14-tetramethylpentadecanoate
InChI:
InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h16-19H,7-15H2,1-6H3
InChI Key:
LCWYDFQCGCPILG-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCCC(CCCC(CCCC(C)C)C)C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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