Structure Database (LMSD)
Common Name
3,7,11,15,18,22,26,30-octamethyldotriacontane-1,32-diol
Systematic Name
3R,7R,11R,15S,18S,22R,26R,30R-octamethyldotriacontane-1,32-diol
Synonyms
- OMDTC
LM ID
LMFA05000084
Formula
Exact Mass
Calculate m/z
594.63148
Sum Composition
Status
Curated
3D model of 3,7,11,15,18,22,26,30-octamethyldotriacontane-1,32-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
YIAFMQBFTHBWLC-ZTVUVNAISA-N
InChi (Click to copy)
InChI=1S/C40H82O2/c1-33(15-9-17-35(3)21-13-25-39(7)29-31-41)19-11-23-37(5)27-28-38(6)24-12-20-34(2)16-10-18-36(4)22-14-26-40(8)30-32-42/h33-42H,9-32H2,1-8H3/t33-,34-,35-,36-,37+,38+,39-,40-/m1/s1
SMILES (Click to copy)
C(C[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
718.14
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
13.21
Molar Refractivity
190.04
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Created at
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Updated at
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