2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol

C8H18O6 — CID 123380088

IUPAC2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
SMILESCC(OCCO)(OCCO)OCCO
InChIInChI=1S/C8H18O6/c1-8(12-5-2-9,13-6-3-10)14-7-4-11/h9-11H,2-7H2,1H3
InChIKeyRNFCVIFUSYSQIF-UHFFFAOYSA-N
MW210.23 g/mol
LogP-1.31
Rot. Bonds9

About 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol

2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 123380088) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID123380088
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
SMILESCC(OCCO)(OCCO)OCCO
InChIInChI=1S/C8H18O6/c1-8(12-5-2-9,13-6-3-10)14-7-4-11/h9-11H,2-7H2,1H3
InChIKeyRNFCVIFUSYSQIF-UHFFFAOYSA-N
XLogP-1.31
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
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-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol
CID 68830472
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
1-(1,1-dipropoxyethoxy)propane
CID 21433420
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
2-(2-methoxybutan-2-yloxy)ethanol
CID 139725326
2-(1-bromo-1-ethoxyethoxy)ethanol
CID 88660199
2-(2,2,3,4-tetramethylpentan-3-yloxy)ethanol
CID 142712384
3-(2-hydroxyethoxy)pentan-3-ol
CID 150775227
1-(2-hydroxyethoxy)propane-1,1-diol
CID 173391432

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol (CID 123380088) is 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol is CC(OCCO)(OCCO)OCCO.
What is the InChIKey of 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is RNFCVIFUSYSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6/c1-8(12-5-2-9,13-6-3-10)14-7-4-11/h9-11H,2-7H2,1H3.
What are the key properties of 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol?
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 210.23 g/mol, XLogP of -1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 123380088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).