tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)

C17H36O16Y4 — CID 158329975

IUPACtetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
SMILESC.COC(=O)OCCO.COC(=O)OCCO.COC(=O)OCCO.COC(=O)OCCO.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C4H8O4.CH4.4Y/c4*1-7-4(6)8-3-2-5;;;;;/h4*5H,2-3H2,1H3;1H4;;;;
InChIKeyZWEZVBOKWJTLCR-UHFFFAOYSA-N
MW852.08 g/mol
LogP-0.33
Rot. Bonds8

About tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)

tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium) (PubChem CID 158329975) has the molecular formula C17H36O16Y4 and a molecular weight of 852.08 g/mol. Its IUPAC name is tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium).

Molecular Properties

Compound Nametetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
PubChem CID158329975
Molecular FormulaC17H36O16Y4
Molecular Weight852.08 g/mol
Exact Mass851.82
IUPAC Nametetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
SMILESC.COC(=O)OCCO.COC(=O)OCCO.COC(=O)OCCO.COC(=O)OCCO.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C4H8O4.CH4.4Y/c4*1-7-4(6)8-3-2-5;;;;;/h4*5H,2-3H2,1H3;1H4;;;;
InChIKeyZWEZVBOKWJTLCR-UHFFFAOYSA-N
XLogP-0.33
TPSA223.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.08
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
methane;methyl 2-(methylamino)ethyl carbonate
CID 160552254
6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)
CID 140635711
methyl [3-(methylamino)-3-oxopropyl] carbonate
CID 118406273
methyl 2-(2-hydroxyethoxy)propanoate
CID 15099863
ethanol;ethyl methyl carbonate
CID 161101393
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate
CID 155022771
1-methoxypropane;methyl propyl carbonate
CID 159112216
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
dimethyl carbonate;ethane-1,2-diol;ethene
CID 173368401

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)?
The IUPAC name of tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium) (CID 158329975) is tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium).
What is the SMILES notation for tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)?
The canonical SMILES for tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium) is C.COC(=O)OCCO.COC(=O)OCCO.COC(=O)OCCO.COC(=O)OCCO.[Y].[Y].[Y].[Y].
What is the InChIKey of tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)?
The InChIKey is ZWEZVBOKWJTLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H8O4.CH4.4Y/c4*1-7-4(6)8-3-2-5;;;;;/h4*5H,2-3H2,1H3;1H4;;;;.
What are the key properties of tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)?
tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium) has a molecular weight of 852.08 g/mol, XLogP of -0.33, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium) is sourced from PubChem (CID 158329975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).