2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol

C6H14O5 — CID 20556668

IUPAC2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol
SMILESCC(OC(C)C(O)O)C(O)O
InChIInChI=1S/C6H14O5/c1-3(5(7)8)11-4(2)6(9)10/h3-10H,1-2H3
InChIKeyKMFFKJOTDGWLCD-UHFFFAOYSA-N
MW166.17 g/mol
LogP-1.60
Rot. Bonds4

About 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol

2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol (PubChem CID 20556668) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol.

Molecular Properties

Compound Name2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol
PubChem CID20556668
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol
SMILESCC(OC(C)C(O)O)C(O)O
InChIInChI=1S/C6H14O5/c1-3(5(7)8)11-4(2)6(9)10/h3-10H,1-2H3
InChIKeyKMFFKJOTDGWLCD-UHFFFAOYSA-N
XLogP-1.60
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-1.60
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

2-(1-hydroxypropoxy)propane-1,1-diol
CID 91224163
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
2-(3-hydroxy-1-pentan-3-yloxybutan-2-yl)oxypropane-1,1-diol
CID 138744605
1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
4-[(1R)-1-(1,1-dihydroxypropan-2-yloxy)ethoxy]butanoic acid
CID 144528460
ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane
CID 118467120
methanol;propan-2-ol;2-propan-2-yloxypropane
CID 88645420
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
3-hydroxybutan-2-yl carbamate
CID 20700654
ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
CID 87296519

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol?
The IUPAC name of 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol (CID 20556668) is 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol.
What is the SMILES notation for 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol?
The canonical SMILES for 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol is CC(OC(C)C(O)O)C(O)O.
What is the InChIKey of 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol?
The InChIKey is KMFFKJOTDGWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5/c1-3(5(7)8)11-4(2)6(9)10/h3-10H,1-2H3.
What are the key properties of 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol?
2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol has a molecular weight of 166.17 g/mol, XLogP of -1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol is sourced from PubChem (CID 20556668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).