2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol

C6H14O5 — CID 3023264

IUPAC2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCOCC(CO)(CO)CO
InChIInChI=1S/C6H14O5/c7-1-6(2-8,3-9)4-11-5-10/h7-10H,1-5H2
InChIKeyRTLSOFVRIBIIHJ-UHFFFAOYSA-N
MW166.17 g/mol
LogP-2.08
Rot. Bonds6

About 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol

2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 3023264) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID3023264
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCOCC(CO)(CO)CO
InChIInChI=1S/C6H14O5/c7-1-6(2-8,3-9)4-11-5-10/h7-10H,1-5H2
InChIKeyRTLSOFVRIBIIHJ-UHFFFAOYSA-N
XLogP-2.08
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-2.08
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

1,3-Dioxane-5,5-dimethanol
CID 80373
1,3-Propanediol, 2,2'-[methylenebis(oxymethylene)]bis[2-(hydroxymethyl)-
CID 12637931
1-(1,3-Dihydroxypropoxy)propane-1,3-diol
CID 57483115
3-(Hydroxymethoxy)propan-1-ol
CID 42626644
1-(3-Hydroxypropoxy)propane-1,3-diol
CID 57321810
2-(Hydroxymethyl)-2-[(methoxymethoxy)methyl]-1,3-propanediol
CID 13418080
3-(Methoxymethoxy)-2,2-dimethylpropan-1-ol
CID 55264352
5-((Hydroxymethoxy)methyl)-1,3-dioxane-5-methanol
CID 11971224
[3-(Hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol
CID 18339030
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] hydrogen carbonate
CID 18939222
(3-Hydroxy-2,2-dimethylpropoxy)methanediol
CID 20484866
(3-Hydroxy-2,2-dimethylpropyl) hydrogen carbonate
CID 21943848

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 3023264) is 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol is OCOCC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is RTLSOFVRIBIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5/c7-1-6(2-8,3-9)4-11-5-10/h7-10H,1-5H2.
What are the key properties of 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 166.17 g/mol, XLogP of -2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxymethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 3023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).