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1569-46-6

1569-46-6 | 5-Hexen-3-ol, 3,5-dimethyl-

CAS No: 1569-46-6 Catalog No: AG001P2P MDL No:MFCD00021822

Product Description

Catalog Number:
AG001P2P
Chemical Name:
5-Hexen-3-ol, 3,5-dimethyl-
CAS Number:
1569-46-6
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00021822
IUPAC Name:
3,5-dimethylhex-5-en-3-ol
InChI:
InChI=1S/C8H16O/c1-5-8(4,9)6-7(2)3/h9H,2,5-6H2,1,3-4H3
InChI Key:
TXUQLVYIQXLUHT-UHFFFAOYSA-N
SMILES:
CCC(CC(=C)C)(O)C

Properties

Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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