Home Other Building Blocks 1-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol

1-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol

CAS No.:
1546780-44-2
Catalog Number:
AG01B5LQ
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01B5LQ
Chemical Name:
1-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol
CAS Number:
1546780-44-2
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD24287628
IUPAC Name:
1-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol
InChI:
InChI=1S/C9H18O2/c1-8(2)4-3-5-9(11,6-8)7-10/h10-11H,3-7H2,1-2H3
InChI Key:
SHLQDPNJNLYDSM-UHFFFAOYSA-N
SMILES:
OCC1(O)CCCC(C1)(C)C
Properties
Complexity:
143  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties