ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane

C9H20O8 — CID 163645846

IUPACethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
SMILESC.O=C(CO)OCCOC(=O)CO.OCCO
InChIInChI=1S/C6H10O6.C2H6O2.CH4/c7-3-5(9)11-1-2-12-6(10)4-8;3-1-2-4;/h7-8H,1-4H2;3-4H,1-2H2;1H4
InChIKeyIIDQBAIPORNZLK-UHFFFAOYSA-N
MW256.25 g/mol
LogP-2.34
Rot. Bonds6

About ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane

ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane (PubChem CID 163645846) has the molecular formula C9H20O8 and a molecular weight of 256.25 g/mol. Its IUPAC name is ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane.

Molecular Properties

Compound Nameethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
PubChem CID163645846
Molecular FormulaC9H20O8
Molecular Weight256.25 g/mol
Exact Mass256.12
IUPAC Nameethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
SMILESC.O=C(CO)OCCOC(=O)CO.OCCO
InChIInChI=1S/C6H10O6.C2H6O2.CH4/c7-3-5(9)11-1-2-12-6(10)4-8;3-1-2-4;/h7-8H,1-4H2;3-4H,1-2H2;1H4
InChIKeyIIDQBAIPORNZLK-UHFFFAOYSA-N
XLogP-2.34
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane?
The IUPAC name of ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane (CID 163645846) is ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane.
What is the SMILES notation for ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane?
The canonical SMILES for ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane is C.O=C(CO)OCCOC(=O)CO.OCCO.
What is the InChIKey of ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane?
The InChIKey is IIDQBAIPORNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.C2H6O2.CH4/c7-3-5(9)11-1-2-12-6(10)4-8;3-1-2-4;/h7-8H,1-4H2;3-4H,1-2H2;1H4.
What are the key properties of ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane?
ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane has a molecular weight of 256.25 g/mol, XLogP of -2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane is sourced from PubChem (CID 163645846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).