ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol

C12H32O9 — CID 160644531

IUPACethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol
SMILESCC(O)CO.OCCCO.OCCO.OCCOCCO
InChIInChI=1S/C4H10O3.2C3H8O2.C2H6O2/c5-1-3-7-4-2-6;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h5-6H,1-4H2;3-5H,2H2,1H3;4-5H,1-3H2;3-4H,1-2H2
InChIKeyRJPQAOSONFBUSQ-UHFFFAOYSA-N
MW320.38 g/mol
LogP-3.32
Rot. Bonds8

About ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol

ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol (PubChem CID 160644531) has the molecular formula C12H32O9 and a molecular weight of 320.38 g/mol. Its IUPAC name is ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol.

Molecular Properties

Compound Nameethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol
PubChem CID160644531
Molecular FormulaC12H32O9
Molecular Weight320.38 g/mol
Exact Mass320.20
IUPAC Nameethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol
SMILESCC(O)CO.OCCCO.OCCO.OCCOCCO
InChIInChI=1S/C4H10O3.2C3H8O2.C2H6O2/c5-1-3-7-4-2-6;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h5-6H,1-4H2;3-5H,2H2,1H3;4-5H,1-3H2;3-4H,1-2H2
InChIKeyRJPQAOSONFBUSQ-UHFFFAOYSA-N
XLogP-3.32
TPSA171.07 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.38
LogP ≤ 5-3.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol
CID 161458726
2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
CID 161125126
butane-1,4-diol;ethane-1,2-diol;hexane-1,6-diol;propane-1,2-diol
CID 157231119
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
butan-2-ol;2-butoxyethanol
CID 118377400
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol
CID 174809895
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
decan-1-ol;2-(2-hydroxyethoxy)ethanol;phenoxybenzene;propane-1,2-diol
CID 67567591

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol?
The IUPAC name of ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol (CID 160644531) is ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol.
What is the SMILES notation for ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol?
The canonical SMILES for ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol is CC(O)CO.OCCCO.OCCO.OCCOCCO.
What is the InChIKey of ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol?
The InChIKey is RJPQAOSONFBUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.2C3H8O2.C2H6O2/c5-1-3-7-4-2-6;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h5-6H,1-4H2;3-5H,2H2,1H3;4-5H,1-3H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol?
ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol has a molecular weight of 320.38 g/mol, XLogP of -3.32, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol is sourced from PubChem (CID 160644531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).