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

C9H20O4 — CID 18426421

IUPAC2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESCCOC(CC)C(CO)(CO)CO
InChIInChI=1S/C9H20O4/c1-3-8(13-4-2)9(5-10,6-11)7-12/h8,10-12H,3-7H2,1-2H3
InChIKeyTUBWWMFICRRSCW-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.24
Rot. Bonds7

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

2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 18426421) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID18426421
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESCCOC(CC)C(CO)(CO)CO
InChIInChI=1S/C9H20O4/c1-3-8(13-4-2)9(5-10,6-11)7-12/h8,10-12H,3-7H2,1-2H3
InChIKeyTUBWWMFICRRSCW-UHFFFAOYSA-N
XLogP-0.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol (CID 18426421) is 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol is CCOC(CC)C(CO)(CO)CO.
What is the InChIKey of 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is TUBWWMFICRRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-3-8(13-4-2)9(5-10,6-11)7-12/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 192.25 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 18426421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).