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

C5H12O5 — CID 140570889

IUPAC2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCOC(CO)(CO)CO
InChIInChI=1S/C5H12O5/c6-1-5(2-7,3-8)10-4-9/h6-9H,1-4H2
InChIKeyPKYLTMATDQLITI-UHFFFAOYSA-N
MW152.15 g/mol
LogP-2.33
Rot. Bonds5

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

2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 140570889) has the molecular formula C5H12O5 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID140570889
Molecular FormulaC5H12O5
Molecular Weight152.15 g/mol
Exact Mass152.07
IUPAC Name2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCOC(CO)(CO)CO
InChIInChI=1S/C5H12O5/c6-1-5(2-7,3-8)10-4-9/h6-9H,1-4H2
InChIKeyPKYLTMATDQLITI-UHFFFAOYSA-N
XLogP-2.33
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-2.33
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

2,2,2-tris(hydroxymethoxy)ethanol
CID 102144290
2-ethyl-2-prop-2-enoxypropane-1,3-diol
CID 11457842
2-amino-2-fluoro-3-hydroxypropanoic acid
CID 156746245
2,2-dichloro-2-(hydroxymethoxy)acetic acid
CID 166878279
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
CID 142755204
2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;phosphoric acid
CID 172758771
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
azane;hydroxy-(hydroxymethoxy)-oxophosphanium
CID 175032722
hydroxymethoxy-oxido-oxophosphanium
CID 152749176
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethoxymethane
CID 158716862
2-ethyl-2-iodophosphanyloxybutan-1-ol
CID 157032032

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol (CID 140570889) is 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol is OCOC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is PKYLTMATDQLITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5/c6-1-5(2-7,3-8)10-4-9/h6-9H,1-4H2.
What are the key properties of 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol?
2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 152.15 g/mol, XLogP of -2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 140570889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).