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81786-93-8 | 3-Hepten-2-ol, 2,3,4,5,6,6-hexamethyl-
CAS No: 81786-93-8 Catalog No: AG0056TK MDL No:
Product Description
Catalog Number:
AG0056TK
Chemical Name:
3-Hepten-2-ol, 2,3,4,5,6,6-hexamethyl-
CAS Number:
81786-93-8
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
IUPAC Name:
2,3,4,5,6,6-hexamethylhept-3-en-2-ol
InChI:
InChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h10,14H,1-8H3
InChI Key:
FMFPEBONUBVZAJ-UHFFFAOYSA-N
SMILES:
CC(=C(C(O)(C)C)C)C(C(C)(C)C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.198g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.35g/mol
Monoisotopic Mass:
198.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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