hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate

C114H378F10O54U15W3 — CID 159008996

IUPAChexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.O.O.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[W].[W].[W]
InChIInChI=1S/10C3H8O2.10C2H5FO2.6C2H6O2.52CH4.2H2O.15U.3W/c10*1-5-3-2-4;10*3-5-2-1-4;6*3-1-2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10*4H,2-3H2,1H3;10*4H,1-2H2;6*3-4H,1-2H2;52*1H4;2*1H2;;;;;;;;;;;;;;;;;;
InChIKeyPWZNSGVPIMCIAD-UHFFFAOYSA-N
MW6926.16 g/mol
LogP20.30
Rot. Bonds46

About hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate

hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate (PubChem CID 159008996) has the molecular formula C114H378F10O54U15W3 and a molecular weight of 6926.16 g/mol. Its IUPAC name is hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate.

Molecular Properties

Compound Namehexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate
PubChem CID159008996
Molecular FormulaC114H378F10O54U15W3
Molecular Weight6926.16 g/mol
Exact Mass6925.28
IUPAC Namehexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.O.O.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[W].[W].[W]
InChIInChI=1S/10C3H8O2.10C2H5FO2.6C2H6O2.52CH4.2H2O.15U.3W/c10*1-5-3-2-4;10*3-5-2-1-4;6*3-1-2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10*4H,2-3H2,1H3;10*4H,1-2H2;6*3-4H,1-2H2;52*1H4;2*1H2;;;;;;;;;;;;;;;;;;
InChIKeyPWZNSGVPIMCIAD-UHFFFAOYSA-N
XLogP20.30
TPSA894.96 Ų
H-Bond Donors32
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006926.16
LogP ≤ 520.30
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1052

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Related Compounds

fluoro hypofluorite;2-methoxyethanol;titanium
CID 175910889
carbanide;ethene;hydroperoxymethane;bis(2-hydroxyethyl hypofluorite);methane;uranium
CID 158476719
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
2-hydroxyethyl hypofluorite
CID 22960076
sodium 2-methoxyethanol
CID 21124383
2-methoxyethanol;sulfane
CID 174965249
ethane;2-methoxyethanol
CID 175109361
bismuthane;2-methoxyethanol
CID 174782924
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
sodium;methanolate;2-methoxyethanol
CID 88740806
dimethylsilane;2-methoxyethanol
CID 174782781
dichloronickel;2-methoxyethanol
CID 175069984

Frequently Asked Questions

What is the IUPAC name of hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate?
The IUPAC name of hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate (CID 159008996) is hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate.
What is the SMILES notation for hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate?
The canonical SMILES for hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.O.O.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.OCCOF.[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[W].[W].[W].
What is the InChIKey of hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate?
The InChIKey is PWZNSGVPIMCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/10C3H8O2.10C2H5FO2.6C2H6O2.52CH4.2H2O.15U.3W/c10*1-5-3-2-4;10*3-5-2-1-4;6*3-1-2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10*4H,2-3H2,1H3;10*4H,1-2H2;6*3-4H,1-2H2;52*1H4;2*1H2;;;;;;;;;;;;;;;;;;.
What are the key properties of hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate?
hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate has a molecular weight of 6926.16 g/mol, XLogP of 20.30, 46 rotatable bonds, 32 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(ethane-1,2-diol);decakis(2-hydroxyethyl hypofluorite);methane;decakis(2-methoxyethanol);tungsten;uranium;dihydrate is sourced from PubChem (CID 159008996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).