(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol

C6H14O4 — CID 118964156

IUPAC(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
SMILESC[C@H](O)CO[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-4(7)3-10-6(9)5(2)8/h4-9H,3H2,1-2H3/t4-,5+,6+/m0/s1
InChIKeyUTAPVFPQDZFMQH-KVQBGUIXSA-N
MW150.17 g/mol
LogP-0.92
Rot. Bonds4

About (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol

(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol (PubChem CID 118964156) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
PubChem CID118964156
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
SMILESC[C@H](O)CO[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-4(7)3-10-6(9)5(2)8/h4-9H,3H2,1-2H3/t4-,5+,6+/m0/s1
InChIKeyUTAPVFPQDZFMQH-KVQBGUIXSA-N
XLogP-0.92
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypropoxy)propane-1,2,3-triol
CID 88703009
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
1-heptan-4-yloxypropan-2-ol
CID 140681787
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241
2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
1-(2-hydroxypropoxy)ethane-1,2-diol
CID 54202578
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-methoxypropan-2-ol;propane
CID 159966080
ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
CID 87266481
1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
CID 142712627
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145
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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol?
The IUPAC name of (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol (CID 118964156) is (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol?
The canonical SMILES for (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol is C[C@H](O)CO[C@@H](O)[C@@H](C)O.
What is the InChIKey of (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol?
The InChIKey is UTAPVFPQDZFMQH-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H14O4/c1-4(7)3-10-6(9)5(2)8/h4-9H,3H2,1-2H3/t4-,5+,6+/m0/s1.
What are the key properties of (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol?
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol has a molecular weight of 150.17 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol is sourced from PubChem (CID 118964156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).