2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol

C8H18O4 — CID 18622963

IUPAC2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol
SMILESCCOC(CO)(CO)CCCO
InChIInChI=1S/C8H18O4/c1-2-12-8(6-10,7-11)4-3-5-9/h9-11H,2-7H2,1H3
InChIKeyQXBMWBDREQGZPH-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.48
Rot. Bonds7

About 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol

2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol (PubChem CID 18622963) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol.

Molecular Properties

Compound Name2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol
PubChem CID18622963
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol
SMILESCCOC(CO)(CO)CCCO
InChIInChI=1S/C8H18O4/c1-2-12-8(6-10,7-11)4-3-5-9/h9-11H,2-7H2,1H3
InChIKeyQXBMWBDREQGZPH-UHFFFAOYSA-N
XLogP-0.48
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol?
The IUPAC name of 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol (CID 18622963) is 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol.
What is the SMILES notation for 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol?
The canonical SMILES for 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol is CCOC(CO)(CO)CCCO.
What is the InChIKey of 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol?
The InChIKey is QXBMWBDREQGZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-2-12-8(6-10,7-11)4-3-5-9/h9-11H,2-7H2,1H3.
What are the key properties of 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol?
2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol has a molecular weight of 178.23 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(hydroxymethyl)pentane-1,5-diol is sourced from PubChem (CID 18622963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).