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114067-37-7 | 1-Hepten-4-ol, 5-ethyl-3,3-dimethyl-
CAS No: 114067-37-7 Catalog No: AG000AFX MDL No:
Product Description
Catalog Number:
AG000AFX
Chemical Name:
1-Hepten-4-ol, 5-ethyl-3,3-dimethyl-
CAS Number:
114067-37-7
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
5-ethyl-3,3-dimethylhept-1-en-4-ol
InChI:
InChI=1S/C11H22O/c1-6-9(7-2)10(12)11(4,5)8-3/h8-10,12H,3,6-7H2,1-2,4-5H3
InChI Key:
BGBKLACYGBTGEZ-UHFFFAOYSA-N
SMILES:
CCC(C(C(C=C)(C)C)O)CC
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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