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188979-78-4 | 4-Octen-1-ol, 3,3,7-trimethyl-, (4E)-
CAS No: 188979-78-4 Catalog No: AG002HN6 MDL No:
Product Description
Catalog Number:
AG002HN6
Chemical Name:
4-Octen-1-ol, 3,3,7-trimethyl-, (4E)-
CAS Number:
188979-78-4
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
3,3,7-trimethyloct-4-en-1-ol
InChI:
InChI=1S/C11H22O/c1-10(2)6-5-7-11(3,4)8-9-12/h5,7,10,12H,6,8-9H2,1-4H3
InChI Key:
VKIBDWQNLDKQIZ-UHFFFAOYSA-N
SMILES:
OCCC(/C=C/CC(C)C)(C)C
Properties
Complexity:
134
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:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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