ethane-1,2-diol;methyl propanoate;phosphenous acid

C6H15O6P — CID 175114705

IUPACethane-1,2-diol;methyl propanoate;phosphenous acid
SMILESCCC(=O)OC.O=PO.OCCO
InChIInChI=1S/C4H8O2.C2H6O2.HO2P/c1-3-4(5)6-2;3-1-2-4;1-3-2/h3H2,1-2H3;3-4H,1-2H2;(H,1,2)
InChIKeyXOFLWURRSJAORG-UHFFFAOYSA-N
MW214.15 g/mol
LogP-0.27
Rot. Bonds2

About ethane-1,2-diol;methyl propanoate;phosphenous acid

ethane-1,2-diol;methyl propanoate;phosphenous acid (PubChem CID 175114705) has the molecular formula C6H15O6P and a molecular weight of 214.15 g/mol. Its IUPAC name is ethane-1,2-diol;methyl propanoate;phosphenous acid.

Molecular Properties

Compound Nameethane-1,2-diol;methyl propanoate;phosphenous acid
PubChem CID175114705
Molecular FormulaC6H15O6P
Molecular Weight214.15 g/mol
Exact Mass214.06
IUPAC Nameethane-1,2-diol;methyl propanoate;phosphenous acid
SMILESCCC(=O)OC.O=PO.OCCO
InChIInChI=1S/C4H8O2.C2H6O2.HO2P/c1-3-4(5)6-2;3-1-2-4;1-3-2/h3H2,1-2H3;3-4H,1-2H2;(H,1,2)
InChIKeyXOFLWURRSJAORG-UHFFFAOYSA-N
XLogP-0.27
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methyl propanoate;phosphenous acid?
The IUPAC name of ethane-1,2-diol;methyl propanoate;phosphenous acid (CID 175114705) is ethane-1,2-diol;methyl propanoate;phosphenous acid.
What is the SMILES notation for ethane-1,2-diol;methyl propanoate;phosphenous acid?
The canonical SMILES for ethane-1,2-diol;methyl propanoate;phosphenous acid is CCC(=O)OC.O=PO.OCCO.
What is the InChIKey of ethane-1,2-diol;methyl propanoate;phosphenous acid?
The InChIKey is XOFLWURRSJAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H6O2.HO2P/c1-3-4(5)6-2;3-1-2-4;1-3-2/h3H2,1-2H3;3-4H,1-2H2;(H,1,2).
What are the key properties of ethane-1,2-diol;methyl propanoate;phosphenous acid?
ethane-1,2-diol;methyl propanoate;phosphenous acid has a molecular weight of 214.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methyl propanoate;phosphenous acid is sourced from PubChem (CID 175114705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).