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2051-33-4 | 1-Hexanol, 5-methyl-2-(1-methylethyl)-
CAS No: 2051-33-4 Catalog No: AG0029V4 MDL No:
Product Description
Catalog Number:
AG0029V4
Chemical Name:
1-Hexanol, 5-methyl-2-(1-methylethyl)-
CAS Number:
2051-33-4
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
5-methyl-2-propan-2-ylhexan-1-ol
InChI:
InChI=1S/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3
InChI Key:
SFIQHFBITUEIBP-UHFFFAOYSA-N
SMILES:
OCC(C(C)C)CCC(C)C
EC Number:
218-119-3
NSC Number:
65622
Properties
Complexity:
86.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Transformation of (±)-lavandulol and (±)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae. | Bioresource technology 20120701 |
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