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

C8H16O4 — CID 174931154

IUPAC2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COC(C)C(CO)(CO)CO
InChIInChI=1S/C8H16O4/c1-3-12-7(2)8(4-9,5-10)6-11/h3,7,9-11H,1,4-6H2,2H3
InChIKeyUVTGPESSANVXLQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.50
Rot. Bonds6

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

2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 174931154) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID174931154
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COC(C)C(CO)(CO)CO
InChIInChI=1S/C8H16O4/c1-3-12-7(2)8(4-9,5-10)6-11/h3,7,9-11H,1,4-6H2,2H3
InChIKeyUVTGPESSANVXLQ-UHFFFAOYSA-N
XLogP-0.50
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.50
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 174931154) is 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol is C=COC(C)C(CO)(CO)CO.
What is the InChIKey of 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is UVTGPESSANVXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-12-7(2)8(4-9,5-10)6-11/h3,7,9-11H,1,4-6H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 176.21 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 174931154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).