Home Other Building Blocks 2-methyl-3-(oxan-4-yl)propan-1-ol

2-methyl-3-(oxan-4-yl)propan-1-ol

CAS No.:
1343797-68-1
Catalog Number:
AG01A65J
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01A65J
Chemical Name:
2-methyl-3-(oxan-4-yl)propan-1-ol
CAS Number:
1343797-68-1
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD20385991
IUPAC Name:
2-methyl-3-(oxan-4-yl)propan-1-ol
InChI:
InChI=1S/C9H18O2/c1-8(7-10)6-9-2-4-11-5-3-9/h8-10H,2-7H2,1H3
InChI Key:
IRTYHWVHQHWFET-UHFFFAOYSA-N
SMILES:
OCC(CC1CCOCC1)C
Properties
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties