2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol

C9H20O7 — CID 134863100

IUPAC2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
SMILESOCC(CO)OCC(CO)OC(CO)CO
InChIInChI=1S/C9H20O7/c10-1-7(2-11)15-6-9(5-14)16-8(3-12)4-13/h7-14H,1-6H2
InChIKeyWZMJUYBSSJHGKA-UHFFFAOYSA-N
MW240.25 g/mol
LogP-2.91
Rot. Bonds10

About 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol

2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol (PubChem CID 134863100) has the molecular formula C9H20O7 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
PubChem CID134863100
Molecular FormulaC9H20O7
Molecular Weight240.25 g/mol
Exact Mass240.12
IUPAC Name2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
SMILESOCC(CO)OCC(CO)OC(CO)CO
InChIInChI=1S/C9H20O7/c10-1-7(2-11)15-6-9(5-14)16-8(3-12)4-13/h7-14H,1-6H2
InChIKeyWZMJUYBSSJHGKA-UHFFFAOYSA-N
XLogP-2.91
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-2.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
2-[1-butoxy-3-(1-butoxy-3-hydroxypropan-2-yl)oxypropan-2-yl]oxypropane-1,3-diol
CID 172513844
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
[(2R)-2-[(2S)-2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]-3-hydroxypropyl] dodecanoate
CID 125121619
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
2-(2-hydroxyethoxy)propane-1,3-diol
CID 19067848
2-(sulfanylmethoxy)propane-1,3-diol
CID 87448610
2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
CID 22568338
2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol
CID 155655122
2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
2-[2,3-bis(1-hydroxypropan-2-yloxy)propoxy]propan-1-ol
CID 59464535
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol?
The IUPAC name of 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol (CID 134863100) is 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol.
What is the SMILES notation for 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol?
The canonical SMILES for 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol is OCC(CO)OCC(CO)OC(CO)CO.
What is the InChIKey of 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol?
The InChIKey is WZMJUYBSSJHGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7/c10-1-7(2-11)15-6-9(5-14)16-8(3-12)4-13/h7-14H,1-6H2.
What are the key properties of 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol?
2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol has a molecular weight of 240.25 g/mol, XLogP of -2.91, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol is sourced from PubChem (CID 134863100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).