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13066-54-1 | 1-Heptanol, 5-methyl-2-(1-methylethenyl)-
CAS No: 13066-54-1 Catalog No: AG000URJ MDL No:
Product Description
Catalog Number:
AG000URJ
Chemical Name:
1-Heptanol, 5-methyl-2-(1-methylethenyl)-
CAS Number:
13066-54-1
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
5-methyl-2-prop-1-en-2-ylheptan-1-ol
InChI:
InChI=1S/C11H22O/c1-5-10(4)6-7-11(8-12)9(2)3/h10-12H,2,5-8H2,1,3-4H3
InChI Key:
KLTCINKAXZCUOW-UHFFFAOYSA-N
SMILES:
CCC(CCC(C(=C)C)CO)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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