3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol

C16H34O10 — CID 54295342

About 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol

3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol (PubChem CID 54295342) has the molecular formula C16H34O10 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
• PubChem CID: 54295342
• Molecular Formula: C16H34O10
• Molecular Weight: 386.44 g/mol
• Exact Mass: 386.22
• IUPAC Name: 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
• SMILES: CC(COCC(O)COCC(O)CO)COCC(O)COCC(O)CO
• InChI: InChI=1S/C16H34O10/c1-12(4-23-8-15(21)10-25-6-13(19)2-17)5-24-9-16(22)11-26-7-14(20)3-18/h12-22H,2-11H2,1H3
• InChIKey: UUJVXRSLDFDMJM-UHFFFAOYSA-N
• XLogP: -2.88
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.44
LogP ≤ 5	-2.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol?

The IUPAC name of 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol (CID 54295342) is 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol.

What is the SMILES notation for 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol?

The canonical SMILES for 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol is CC(COCC(O)COCC(O)CO)COCC(O)COCC(O)CO.

What is the InChIKey of 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol?

The InChIKey is UUJVXRSLDFDMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O10/c1-12(4-23-8-15(21)10-25-6-13(19)2-17)5-24-9-16(22)11-26-7-14(20)3-18/h12-22H,2-11H2,1H3.

What are the key properties of 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol?

3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol has a molecular weight of 386.44 g/mol, XLogP of -2.88, 18 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol is sourced from PubChem (CID 54295342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).