ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol

C9H22O4 — CID 21464807

IUPACethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CO.CCOCC
InChIInChI=1S/C5H12O3.C4H10O/c1-5(2-6,3-7)4-8;1-3-5-4-2/h6-8H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyPQYZULBNVQFVCO-UHFFFAOYSA-N
MW194.27 g/mol
LogP0.01
Rot. Bonds5

About ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol

ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol (PubChem CID 21464807) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Nameethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
PubChem CID21464807
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Nameethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CO.CCOCC
InChIInChI=1S/C5H12O3.C4H10O/c1-5(2-6,3-7)4-8;1-3-5-4-2/h6-8H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyPQYZULBNVQFVCO-UHFFFAOYSA-N
XLogP0.01
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
ethanol;ethene;ethoxyethane
CID 139434375
ethoxyethane;hydroxylamine
CID 135816400
3-ethoxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64802622

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The IUPAC name of ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol (CID 21464807) is ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)CO.CCOCC.
What is the InChIKey of ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The InChIKey is PQYZULBNVQFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.C4H10O/c1-5(2-6,3-7)4-8;1-3-5-4-2/h6-8H,2-4H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol has a molecular weight of 194.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 21464807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).