2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol

C7H14O4 — CID 22253212

IUPAC2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COCC(CO)(CO)CO
InChIInChI=1S/C7H14O4/c1-2-11-6-7(3-8,4-9)5-10/h2,8-10H,1,3-6H2
InChIKeyIARGBXSVZJLGOI-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.89
Rot. Bonds6

About 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol

2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 22253212) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID22253212
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COCC(CO)(CO)CO
InChIInChI=1S/C7H14O4/c1-2-11-6-7(3-8,4-9)5-10/h2,8-10H,1,3-6H2
InChIKeyIARGBXSVZJLGOI-UHFFFAOYSA-N
XLogP-0.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
CID 166530667
1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
CID 87315894
2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 174613094
2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
2-(2-ethylbut-1-enoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 151258676
2-(hydroxymethyl)-2-(3-methylpenta-1,4-dien-3-yloxymethyl)propane-1,3-diol
CID 172555447
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;heptakis(prop-2-enoic acid)
CID 175143694
2,2-bis(prop-1-enoxymethyl)propane-1,3-diol
CID 87248423
1,3-bis(ethenoxy)-2,2-dimethylpropane
CID 3019753
2,2-bis(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;hexakis(prop-2-enoic acid)
CID 175217671
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 22253212) is 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol is C=COCC(CO)(CO)CO.
What is the InChIKey of 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is IARGBXSVZJLGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-11-6-7(3-8,4-9)5-10/h2,8-10H,1,3-6H2.
What are the key properties of 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 162.18 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 22253212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).