ethoxyethane;decakis(propane-1,2,3-triol)

C34H90O31 — CID 173290324

IUPACethoxyethane;decakis(propane-1,2,3-triol)
SMILESCCOCC.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChIInChI=1S/C4H10O.10C3H8O3/c1-3-5-4-2;10*4-1-3(6)2-5/h3-4H2,1-2H3;10*3-6H,1-2H2
InChIKeyWUSJWWRPFNHECK-UHFFFAOYSA-N
MW995.06 g/mol
LogP-15.64
Rot. Bonds22

About ethoxyethane;decakis(propane-1,2,3-triol)

ethoxyethane;decakis(propane-1,2,3-triol) (PubChem CID 173290324) has the molecular formula C34H90O31 and a molecular weight of 995.06 g/mol. Its IUPAC name is ethoxyethane;decakis(propane-1,2,3-triol).

Molecular Properties

Compound Nameethoxyethane;decakis(propane-1,2,3-triol)
PubChem CID173290324
Molecular FormulaC34H90O31
Molecular Weight995.06 g/mol
Exact Mass994.55
IUPAC Nameethoxyethane;decakis(propane-1,2,3-triol)
SMILESCCOCC.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChIInChI=1S/C4H10O.10C3H8O3/c1-3-5-4-2;10*4-1-3(6)2-5/h3-4H2,1-2H3;10*3-6H,1-2H2
InChIKeyWUSJWWRPFNHECK-UHFFFAOYSA-N
XLogP-15.64
TPSA616.13 Ų
H-Bond Donors30
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.06
LogP ≤ 5-15.64
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1031

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Related Compounds

ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
butane-1,1-diol;ethoxyethane;propane-1,2,3-triol
CID 87275832
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
ethoxyethane;hexane-1,2,6-triol
CID 19434693
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
2,2-dichloroethanol;ethoxyethane
CID 22662862
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
ethoxyethane;pentane-1,2,3-triol
CID 87302258
ethene;propane;propane-1,2,3-triol
CID 87089727
barium(2+);ethanol;propane-1,2,3-triol;dichloride
CID 174856715
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;decakis(propane-1,2,3-triol)?
The IUPAC name of ethoxyethane;decakis(propane-1,2,3-triol) (CID 173290324) is ethoxyethane;decakis(propane-1,2,3-triol).
What is the SMILES notation for ethoxyethane;decakis(propane-1,2,3-triol)?
The canonical SMILES for ethoxyethane;decakis(propane-1,2,3-triol) is CCOCC.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.
What is the InChIKey of ethoxyethane;decakis(propane-1,2,3-triol)?
The InChIKey is WUSJWWRPFNHECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.10C3H8O3/c1-3-5-4-2;10*4-1-3(6)2-5/h3-4H2,1-2H3;10*3-6H,1-2H2.
What are the key properties of ethoxyethane;decakis(propane-1,2,3-triol)?
ethoxyethane;decakis(propane-1,2,3-triol) has a molecular weight of 995.06 g/mol, XLogP of -15.64, 22 rotatable bonds, 30 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;decakis(propane-1,2,3-triol) is sourced from PubChem (CID 173290324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).