3-(2,2-dipropoxyethoxy)propane-1,2-diol

C11H24O5 — CID 15582205

IUPAC3-(2,2-dipropoxyethoxy)propane-1,2-diol
SMILESCCCOC(COCC(O)CO)OCCC
InChIInChI=1S/C11H24O5/c1-3-5-15-11(16-6-4-2)9-14-8-10(13)7-12/h10-13H,3-9H2,1-2H3
InChIKeyRCCFBLINRJZNPW-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.54
Rot. Bonds11

About 3-(2,2-dipropoxyethoxy)propane-1,2-diol

3-(2,2-dipropoxyethoxy)propane-1,2-diol (PubChem CID 15582205) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2,2-dipropoxyethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2-dipropoxyethoxy)propane-1,2-diol
PubChem CID15582205
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name3-(2,2-dipropoxyethoxy)propane-1,2-diol
SMILESCCCOC(COCC(O)CO)OCCC
InChIInChI=1S/C11H24O5/c1-3-5-15-11(16-6-4-2)9-14-8-10(13)7-12/h10-13H,3-9H2,1-2H3
InChIKeyRCCFBLINRJZNPW-UHFFFAOYSA-N
XLogP0.54
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipropoxyethoxy)propane-1,2-diol?
The IUPAC name of 3-(2,2-dipropoxyethoxy)propane-1,2-diol (CID 15582205) is 3-(2,2-dipropoxyethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,2-dipropoxyethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,2-dipropoxyethoxy)propane-1,2-diol is CCCOC(COCC(O)CO)OCCC.
What is the InChIKey of 3-(2,2-dipropoxyethoxy)propane-1,2-diol?
The InChIKey is RCCFBLINRJZNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-3-5-15-11(16-6-4-2)9-14-8-10(13)7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(2,2-dipropoxyethoxy)propane-1,2-diol?
3-(2,2-dipropoxyethoxy)propane-1,2-diol has a molecular weight of 236.31 g/mol, XLogP of 0.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipropoxyethoxy)propane-1,2-diol is sourced from PubChem (CID 15582205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).