ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)

C19H46O10Y4 — CID 157123319

IUPACethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)
SMILESCCC1CC1.CCO.OCCC1CO1.OCCCC(O)CCO.OCO.OCO.[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H14O3.C5H10.C4H8O2.C2H6O.2CH4O2.4Y/c7-4-1-2-6(9)3-5-8;1-2-5-3-4-5;5-2-1-4-3-6-4;1-2-3;2*2-1-3;;;;/h6-9H,1-5H2;5H,2-4H2,1H3;4-5H,1-3H2;3H,2H2,1H3;2*2-3H,1H2;;;;
InChIKeyHYDVTWOPWBGYKT-UHFFFAOYSA-N
MW790.19 g/mol
LogP-1.08
Rot. Bonds8

About ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)

ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium) (PubChem CID 157123319) has the molecular formula C19H46O10Y4 and a molecular weight of 790.19 g/mol. Its IUPAC name is ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium).

Molecular Properties

Compound Nameethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)
PubChem CID157123319
Molecular FormulaC19H46O10Y4
Molecular Weight790.19 g/mol
Exact Mass789.93
IUPAC Nameethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)
SMILESCCC1CC1.CCO.OCCC1CO1.OCCCC(O)CCO.OCO.OCO.[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H14O3.C5H10.C4H8O2.C2H6O.2CH4O2.4Y/c7-4-1-2-6(9)3-5-8;1-2-5-3-4-5;5-2-1-4-3-6-4;1-2-3;2*2-1-3;;;;/h6-9H,1-5H2;5H,2-4H2,1H3;4-5H,1-3H2;3H,2H2,1H3;2*2-3H,1H2;;;;
InChIKeyHYDVTWOPWBGYKT-UHFFFAOYSA-N
XLogP-1.08
TPSA194.60 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium) with MolForge

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Related Compounds

butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766235
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
CID 159329704
1,7-bis(oxiran-2-yl)heptan-4-ol;methane
CID 160991643
1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
ethylcyclobutane;propane-1,2,3-triol
CID 23171105
2-(chloromethyl)oxirane;1-chloropentadecan-2-ol;dodecan-1-ol;methane
CID 159003983
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
CID 19898407
1-[3-(oxiran-2-yl)propoxy]butan-2-ol
CID 140851911
1-cyclopropylundecan-3-ol
CID 115810831
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071

Frequently Asked Questions

What is the IUPAC name of ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)?
The IUPAC name of ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium) (CID 157123319) is ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium).
What is the SMILES notation for ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)?
The canonical SMILES for ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium) is CCC1CC1.CCO.OCCC1CO1.OCCCC(O)CCO.OCO.OCO.[Y].[Y].[Y].[Y].
What is the InChIKey of ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)?
The InChIKey is HYDVTWOPWBGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C5H10.C4H8O2.C2H6O.2CH4O2.4Y/c7-4-1-2-6(9)3-5-8;1-2-5-3-4-5;5-2-1-4-3-6-4;1-2-3;2*2-1-3;;;;/h6-9H,1-5H2;5H,2-4H2,1H3;4-5H,1-3H2;3H,2H2,1H3;2*2-3H,1H2;;;;.
What are the key properties of ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)?
ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium) has a molecular weight of 790.19 g/mol, XLogP of -1.08, 8 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium) is sourced from PubChem (CID 157123319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).