decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene

C68H138N4O2S2 — CID 158350317

IUPACdecakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.10C5H12.C4H4S.2C3H3NO.C3H3NS/c1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;10*1-4H3;1-4H;3*1-3H
InChIKeyGSFQQRQJMYCYSW-UHFFFAOYSA-N
MW1108.01 g/mol
LogP25.85
Rot. Bonds

About decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene

decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene (PubChem CID 158350317) has the molecular formula C68H138N4O2S2 and a molecular weight of 1108.01 g/mol. Its IUPAC name is decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene.

Molecular Properties

Compound Namedecakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
PubChem CID158350317
Molecular FormulaC68H138N4O2S2
Molecular Weight1108.01 g/mol
Exact Mass1107.03
IUPAC Namedecakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.10C5H12.C4H4S.2C3H3NO.C3H3NS/c1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;10*1-4H3;1-4H;3*1-3H
InChIKeyGSFQQRQJMYCYSW-UHFFFAOYSA-N
XLogP25.85
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.01
LogP ≤ 525.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene
CID 158040610
ethane;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 158350647
1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene
CID 159537573
Ethane;1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 160141828
dodecakis(2,2-dimethylpropane);1H-imidazole;methane;1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 161442023
5-(2,2-Dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane
CID 167666944

Frequently Asked Questions

What is the IUPAC name of decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The IUPAC name of decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene (CID 158350317) is decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene.
What is the SMILES notation for decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The canonical SMILES for decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The InChIKey is GSFQQRQJMYCYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.10C5H12.C4H4S.2C3H3NO.C3H3NS/c1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;10*1-4H3;1-4H;3*1-3H.
What are the key properties of decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene has a molecular weight of 1108.01 g/mol, XLogP of 25.85, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(2,2-dimethylpropane);1,2-oxazole;1,3-oxazole;pyridine;1,3-thiazole;thiophene is sourced from PubChem (CID 158350317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).