tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane

C132H200O24S8 — CID 159641992

IUPACtetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane
SMILESC.C.C.C.C.C.C.C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C
InChIInChI=1S/4C16H22O3S.4C15H20O3S.8CH4/c4*1-10-13(18)15(20-12-8-6-5-7-9-12)19-14(11(2)17)16(10,3)4;4*1-9-10(2)14(11(3)16)18-15(13(9)17)19-12-7-5-4-6-8-12;;;;;;;;/h4*5-10,13-15,18H,1-4H3;4*4-10,13-15,17H,1-3H3;8*1H4
InChIKeyMQLZTSLDWLQGPW-UHFFFAOYSA-N
MW2427.56 g/mol
LogP28.45
Rot. Bonds24

About tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane

tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane (PubChem CID 159641992) has the molecular formula C132H200O24S8 and a molecular weight of 2427.56 g/mol. Its IUPAC name is tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane.

Molecular Properties

Compound Nametetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane
PubChem CID159641992
Molecular FormulaC132H200O24S8
Molecular Weight2427.56 g/mol
Exact Mass2425.22
IUPAC Nametetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane
SMILESC.C.C.C.C.C.C.C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C
InChIInChI=1S/4C16H22O3S.4C15H20O3S.8CH4/c4*1-10-13(18)15(20-12-8-6-5-7-9-12)19-14(11(2)17)16(10,3)4;4*1-9-10(2)14(11(3)16)18-15(13(9)17)19-12-7-5-4-6-8-12;;;;;;;;/h4*5-10,13-15,18H,1-4H3;4*4-10,13-15,17H,1-3H3;8*1H4
InChIKeyMQLZTSLDWLQGPW-UHFFFAOYSA-N
XLogP28.45
TPSA372.24 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002427.56
LogP ≤ 528.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane with MolForge

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Related Compounds

Bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone)
CID 54043363
Bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);bis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone)
CID 90716651
methane;bis(methyl (2R,4R,5R)-6-[(1R,2R)-1,2-dihydroxybutyl]-4,5-dimethyl-2-phenylsulfanyloxane-2-carboxylate);bis(methyl (2R,4R,5R)-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]-2-phenylsulfanyloxane-2-carboxylate);methyl (2R,4R,5R)-6-[(1R,2R)-1-hydroxy-2-methylbutyl]-4,5-dimethyl-2-phenylsulfanyloxane-2-carboxylate
CID 157266372
Bis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);1-(5-hydroxy-3,3,4,6-tetramethyloxan-2-yl)ethanone;bis(1-(5-hydroxy-3,4,6-trimethyloxan-2-yl)ethanone);tris(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane
CID 158464871

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?
The IUPAC name of tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane (CID 159641992) is tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane.
What is the SMILES notation for tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?
The canonical SMILES for tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane is C.C.C.C.C.C.C.C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1(C)C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.CC(=O)C1OC(Sc2ccccc2)C(O)C(C)C1C.
What is the InChIKey of tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?
The InChIKey is MQLZTSLDWLQGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H22O3S.4C15H20O3S.8CH4/c4*1-10-13(18)15(20-12-8-6-5-7-9-12)19-14(11(2)17)16(10,3)4;4*1-9-10(2)14(11(3)16)18-15(13(9)17)19-12-7-5-4-6-8-12;;;;;;;;/h4*5-10,13-15,18H,1-4H3;4*4-10,13-15,17H,1-3H3;8*1H4.
What are the key properties of tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane?
tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane has a molecular weight of 2427.56 g/mol, XLogP of 28.45, 24 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-(5-hydroxy-3,4-dimethyl-6-phenylsulfanyloxan-2-yl)ethanone);tetrakis(1-(5-hydroxy-3,3,4-trimethyl-6-phenylsulfanyloxan-2-yl)ethanone);methane is sourced from PubChem (CID 159641992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).