2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol

C7H16O6 — CID 88669419

IUPAC2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CCOC(O)O
InChIInChI=1S/C7H16O6/c8-3-7(4-9,5-10)1-2-13-6(11)12/h6,8-12H,1-5H2
InChIKeyZHLSQXLTVJRWRN-UHFFFAOYSA-N
MW196.20 g/mol
LogP-2.38
Rot. Bonds7

About 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol

2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 88669419) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID88669419
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CCOC(O)O
InChIInChI=1S/C7H16O6/c8-3-7(4-9,5-10)1-2-13-6(11)12/h6,8-12H,1-5H2
InChIKeyZHLSQXLTVJRWRN-UHFFFAOYSA-N
XLogP-2.38
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutoxymethanediol
CID 54490534
3-hydroxypropoxymethanediol
CID 54044719
2-[2-(2-hydroxyethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87583491
5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
CID 20523698
2-(hydroxymethyl)-2-[2-(4-hydroxy-2-methylpentoxy)ethyl]propane-1,3-diol
CID 174493040
[4-hydroxy-3,3-bis(hydroxymethyl)butyl] formate
CID 87346311
2,2-bis(hydroxymethyl)pentane-1,5-diol
CID 22166298
3-[4-hydroxy-3,3-bis(hydroxymethyl)butoxy]-3-oxoprop-1-ene-1,1,2-tricarboxylic acid
CID 175013282
2-[8-[10-hydroxy-9,9-bis(hydroxymethyl)decoxy]octyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88594791
2,2,5-tris(hydroxymethyl)hexane-1,6-diol
CID 22166300
2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
2-(hydroxymethyl)-2-[2-(4-prop-1-enylhept-5-enoxy)ethyl]propane-1,3-diol
CID 57145019

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol (CID 88669419) is 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)CCOC(O)O.
What is the InChIKey of 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ZHLSQXLTVJRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6/c8-3-7(4-9,5-10)1-2-13-6(11)12/h6,8-12H,1-5H2.
What are the key properties of 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 196.20 g/mol, XLogP of -2.38, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dihydroxymethoxy)ethyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 88669419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).