1-(2-hydroxypropoxy)propane-1,2,3-triol

C6H14O5 — CID 88703009

IUPAC1-(2-hydroxypropoxy)propane-1,2,3-triol
SMILESCC(O)COC(O)C(O)CO
InChIInChI=1S/C6H14O5/c1-4(8)3-11-6(10)5(9)2-7/h4-10H,2-3H2,1H3
InChIKeyYUJOMUJXXIHIJZ-UHFFFAOYSA-N
MW166.17 g/mol
LogP-1.94
Rot. Bonds5

About 1-(2-hydroxypropoxy)propane-1,2,3-triol

1-(2-hydroxypropoxy)propane-1,2,3-triol (PubChem CID 88703009) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(2-hydroxypropoxy)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-hydroxypropoxy)propane-1,2,3-triol
PubChem CID88703009
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name1-(2-hydroxypropoxy)propane-1,2,3-triol
SMILESCC(O)COC(O)C(O)CO
InChIInChI=1S/C6H14O5/c1-4(8)3-11-6(10)5(9)2-7/h4-10H,2-3H2,1H3
InChIKeyYUJOMUJXXIHIJZ-UHFFFAOYSA-N
XLogP-1.94
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
1-(2-hydroxypropoxy)ethane-1,2-diol
CID 54202578
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
1-propoxypropane-1,2,3-triol
CID 19757638
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropoxy)propane-1,2,3-triol?
The IUPAC name of 1-(2-hydroxypropoxy)propane-1,2,3-triol (CID 88703009) is 1-(2-hydroxypropoxy)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-hydroxypropoxy)propane-1,2,3-triol?
The canonical SMILES for 1-(2-hydroxypropoxy)propane-1,2,3-triol is CC(O)COC(O)C(O)CO.
What is the InChIKey of 1-(2-hydroxypropoxy)propane-1,2,3-triol?
The InChIKey is YUJOMUJXXIHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5/c1-4(8)3-11-6(10)5(9)2-7/h4-10H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxypropoxy)propane-1,2,3-triol?
1-(2-hydroxypropoxy)propane-1,2,3-triol has a molecular weight of 166.17 g/mol, XLogP of -1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropoxy)propane-1,2,3-triol is sourced from PubChem (CID 88703009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).