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115895-77-7 | 12-Tridecen-1-ol, 12-methyl-2-(1-methylethenyl)-
CAS No: 115895-77-7 Catalog No: AG000H29 MDL No:
Product Description
Catalog Number:
AG000H29
Chemical Name:
12-Tridecen-1-ol, 12-methyl-2-(1-methylethenyl)-
CAS Number:
115895-77-7
Molecular Formula:
C17H32O
Molecular Weight:
252.4354
IUPAC Name:
12-methyl-2-prop-1-en-2-yltridec-12-en-1-ol
InChI:
InChI=1S/C17H32O/c1-15(2)12-10-8-6-5-7-9-11-13-17(14-18)16(3)4/h17-18H,1,3,5-14H2,2,4H3
InChI Key:
OXGMDNJCGZYWCE-UHFFFAOYSA-N
SMILES:
OCC(C(=C)C)CCCCCCCCCC(=C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.245g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.442g/mol
Monoisotopic Mass:
252.245g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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