1-(2-hydroxyethoxy)propane-1,1-diol

C5H12O4 — CID 173391432

IUPAC1-(2-hydroxyethoxy)propane-1,1-diol
SMILESCCC(O)(O)OCCO
InChIInChI=1S/C5H12O4/c1-2-5(7,8)9-4-3-6/h6-8H,2-4H2,1H3
InChIKeyBEEROZMECLJOTN-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.96
Rot. Bonds4

About 1-(2-hydroxyethoxy)propane-1,1-diol

1-(2-hydroxyethoxy)propane-1,1-diol (PubChem CID 173391432) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)propane-1,1-diol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)propane-1,1-diol
PubChem CID173391432
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name1-(2-hydroxyethoxy)propane-1,1-diol
SMILESCCC(O)(O)OCCO
InChIInChI=1S/C5H12O4/c1-2-5(7,8)9-4-3-6/h6-8H,2-4H2,1H3
InChIKeyBEEROZMECLJOTN-UHFFFAOYSA-N
XLogP-0.96
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethoxy)pentan-3-ol
CID 150775227
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-(2-methoxybutan-2-yloxy)ethanol
CID 139725326
2-(2-hydroxyethoxy)-2-methylbutanenitrile
CID 103376048
2-bromo-2-(2-hydroxyethoxy)butanal
CID 141321955
2-(1-bromo-1-ethoxyethoxy)ethanol
CID 88660199
2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;silane
CID 173283937
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
CID 175336069
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)propane-1,1-diol?
The IUPAC name of 1-(2-hydroxyethoxy)propane-1,1-diol (CID 173391432) is 1-(2-hydroxyethoxy)propane-1,1-diol.
What is the SMILES notation for 1-(2-hydroxyethoxy)propane-1,1-diol?
The canonical SMILES for 1-(2-hydroxyethoxy)propane-1,1-diol is CCC(O)(O)OCCO.
What is the InChIKey of 1-(2-hydroxyethoxy)propane-1,1-diol?
The InChIKey is BEEROZMECLJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4/c1-2-5(7,8)9-4-3-6/h6-8H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethoxy)propane-1,1-diol?
1-(2-hydroxyethoxy)propane-1,1-diol has a molecular weight of 136.15 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)propane-1,1-diol is sourced from PubChem (CID 173391432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).