2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol

C10H24O6 — CID 88670708

IUPAC2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol
SMILESCC(C)(O)C(O)OCCO.CCOCCO
InChIInChI=1S/C6H14O4.C4H10O2/c1-6(2,9)5(8)10-4-3-7;1-2-6-4-3-5/h5,7-9H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyXDOBSPVISVKXEP-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.90
Rot. Bonds7

About 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol

2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol (PubChem CID 88670708) has the molecular formula C10H24O6 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol
PubChem CID88670708
Molecular FormulaC10H24O6
Molecular Weight240.30 g/mol
Exact Mass240.16
IUPAC Name2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol
SMILESCC(C)(O)C(O)OCCO.CCOCCO
InChIInChI=1S/C6H14O4.C4H10O2/c1-6(2,9)5(8)10-4-3-7;1-2-6-4-3-5/h5,7-9H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyXDOBSPVISVKXEP-UHFFFAOYSA-N
XLogP-0.90
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 174490221
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CID 173283937
chloroform;2-ethoxyethanol
CID 118659201
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CID 173429143
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
2-ethoxyethanol;trichloroiridium;hydrate
CID 174911272
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
potassium;2-ethoxyethanol;hexafluorophosphate
CID 174932097
2-ethoxyethanol;sulfuric acid
CID 87749123

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol?
The IUPAC name of 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol (CID 88670708) is 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol.
What is the SMILES notation for 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol?
The canonical SMILES for 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol is CC(C)(O)C(O)OCCO.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol?
The InChIKey is XDOBSPVISVKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H10O2/c1-6(2,9)5(8)10-4-3-7;1-2-6-4-3-5/h5,7-9H,3-4H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol?
2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol has a molecular weight of 240.30 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;1-(2-hydroxyethoxy)-2-methylpropane-1,2-diol is sourced from PubChem (CID 88670708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).