2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol

C8H18O4 — CID 15066032

IUPAC2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)COCOC
InChIInChI=1S/C8H18O4/c1-3-8(4-9,5-10)6-12-7-11-2/h9-10H,3-7H2,1-2H3
InChIKeyLMPCDISUTGDKII-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.01
Rot. Bonds7

About 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol

2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol (PubChem CID 15066032) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol
PubChem CID15066032
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)COCOC
InChIInChI=1S/C8H18O4/c1-3-8(4-9,5-10)6-12-7-11-2/h9-10H,3-7H2,1-2H3
InChIKeyLMPCDISUTGDKII-UHFFFAOYSA-N
XLogP-0.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(hydroxymethyl)-2-(methoxymethoxymethyl)propane-1,3-diol
CID 13418080
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
CID 175057771
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethoxymethane
CID 158716862
2-[[2-[1,3-bis[2,2-bis(hydroxymethyl)butoxy]propan-2-yloxy]-3-[2-ethyl-2-(hydroxymethyl)butoxy]propoxy]methyl]-2-ethylpropane-1,3-diol
CID 135274617
3-methoxy-2-[[3-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propan-1-ol
CID 170224357
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
2-[1,1-bis(sulfanyl)propoxymethyl]-2-ethylpropane-1,3-diol
CID 88823162
2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
2-[[2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 167106238
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol (CID 15066032) is 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol is CCC(CO)(CO)COCOC.
What is the InChIKey of 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol?
The InChIKey is LMPCDISUTGDKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-3-8(4-9,5-10)6-12-7-11-2/h9-10H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol?
2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol has a molecular weight of 178.23 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 15066032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).