5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol

C18H32O10 — CID 155465084

IUPAC5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol
SMILESCCOCOC(COCC1CO1)C(OCC1CO1)C(O)C(O)COCC1CO1
InChIInChI=1S/C18H32O10/c1-2-21-11-28-16(10-23-4-13-6-25-13)18(27-8-14-7-26-14)17(20)15(19)9-22-3-12-5-24-12/h12-20H,2-11H2,1H3
InChIKeyHDFQRGAPTAKGBS-UHFFFAOYSA-N
MW408.44 g/mol
LogP-1.30
Rot. Bonds18

About 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol

5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol (PubChem CID 155465084) has the molecular formula C18H32O10 and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol.

Molecular Properties

Compound Name5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol
PubChem CID155465084
Molecular FormulaC18H32O10
Molecular Weight408.44 g/mol
Exact Mass408.20
IUPAC Name5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol
SMILESCCOCOC(COCC1CO1)C(OCC1CO1)C(O)C(O)COCC1CO1
InChIInChI=1S/C18H32O10/c1-2-21-11-28-16(10-23-4-13-6-25-13)18(27-8-14-7-26-14)17(20)15(19)9-22-3-12-5-24-12/h12-20H,2-11H2,1H3
InChIKeyHDFQRGAPTAKGBS-UHFFFAOYSA-N
XLogP-1.30
TPSA124.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 134214462
(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol
CID 18663669
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
2,3-bis(oxiran-2-ylmethoxy)propan-1-ol;2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane
CID 158197483
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol?
The IUPAC name of 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol (CID 155465084) is 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol.
What is the SMILES notation for 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol?
The canonical SMILES for 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol is CCOCOC(COCC1CO1)C(OCC1CO1)C(O)C(O)COCC1CO1.
What is the InChIKey of 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol?
The InChIKey is HDFQRGAPTAKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O10/c1-2-21-11-28-16(10-23-4-13-6-25-13)18(27-8-14-7-26-14)17(20)15(19)9-22-3-12-5-24-12/h12-20H,2-11H2,1H3.
What are the key properties of 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol?
5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol has a molecular weight of 408.44 g/mol, XLogP of -1.30, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol is sourced from PubChem (CID 155465084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).