3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol

C7H16O6 — CID 59854090

IUPAC3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
SMILESOCC(O)COCOCC(O)CO
InChIInChI=1S/C7H16O6/c8-1-6(10)3-12-5-13-4-7(11)2-9/h6-11H,1-5H2
InChIKeyRFKSRZIDTYVHLY-UHFFFAOYSA-N
MW196.20 g/mol
LogP-2.32
Rot. Bonds8

About 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol

3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol (PubChem CID 59854090) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
PubChem CID59854090
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
SMILESOCC(O)COCOCC(O)CO
InChIInChI=1S/C7H16O6/c8-1-6(10)3-12-5-13-4-7(11)2-9/h6-11H,1-5H2
InChIKeyRFKSRZIDTYVHLY-UHFFFAOYSA-N
XLogP-2.32
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol
CID 59434575
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
CID 137404860
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl]-trimethylazanium
CID 89337640
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol?
The IUPAC name of 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol (CID 59854090) is 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol is OCC(O)COCOCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol?
The InChIKey is RFKSRZIDTYVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6/c8-1-6(10)3-12-5-13-4-7(11)2-9/h6-11H,1-5H2.
What are the key properties of 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol?
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol has a molecular weight of 196.20 g/mol, XLogP of -2.32, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol is sourced from PubChem (CID 59854090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).