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

C9H20O5 — CID 22947030

IUPAC2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)COCOCOC
InChIInChI=1S/C9H20O5/c1-3-9(4-10,5-11)6-13-8-14-7-12-2/h10-11H,3-8H2,1-2H3
InChIKeyBVWMHHKDIZCPEM-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.04
Rot. Bonds9

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

2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol (PubChem CID 22947030) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol
PubChem CID22947030
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)COCOCOC
InChIInChI=1S/C9H20O5/c1-3-9(4-10,5-11)6-13-8-14-7-12-2/h10-11H,3-8H2,1-2H3
InChIKeyBVWMHHKDIZCPEM-UHFFFAOYSA-N
XLogP-0.04
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-Ethyl-1,3-dioxane-5-methanol
CID 78860
1,3-Propanediol, 2,2'-[methylenebis(oxymethylene)]bis[2-(hydroxymethyl)-
CID 12637931
1,3-Dioxane-2-ethanol, 5-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-
CID 21881827
1-Butanol, 2-(diethoxymethyl)-2-ethyl-
CID 46411
2,2'-[Methylenebis(oxymethylene)]bis[2-ethyl-1,3-propanediol]
CID 14847864
3,3-Dimethyl-2-(methoxymethoxy)-1,4-butane-diol
CID 85911602
(3,9-Diethyl-1,5,7,11-tetraoxaspiro[5.5]undecane-3,9-diyl)dimethanol
CID 13643193
2,2-Bis(hydroxymethyl)butyl methyl carbonate
CID 20693244
5-Ethyl-5-(hydroxymethyl)-1,3-dioxan-2-ol
CID 55250353
Triethoxytrimeth ylolpropane
CID 129774101
2,2'-((Butane-1,1-diylbis(oxy))bis(methylene))bis(2-methylpropane-1,3-diol)
CID 162183284
2-Ethyl-2-((2-((hydroxymethoxy)methyl)-2-(hydroxymethyl)butoxy)methyl)propane-1,3-diol
CID 3024890

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol (CID 22947030) is 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol is CCC(CO)(CO)COCOCOC.
What is the InChIKey of 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol?
The InChIKey is BVWMHHKDIZCPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5/c1-3-9(4-10,5-11)6-13-8-14-7-12-2/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol?
2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol has a molecular weight of 208.25 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 22947030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).