2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol

C8H18O5 — CID 87485904

IUPAC2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
SMILESCCOCC(O)OC(O)COCC
InChIInChI=1S/C8H18O5/c1-3-11-5-7(9)13-8(10)6-12-4-2/h7-10H,3-6H2,1-2H3
InChIKeyPEKSDVSZJRGEDW-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.29
Rot. Bonds8

About 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol

2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol (PubChem CID 87485904) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
PubChem CID87485904
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
SMILESCCOCC(O)OC(O)COCC
InChIInChI=1S/C8H18O5/c1-3-11-5-7(9)13-8(10)6-12-4-2/h7-10H,3-6H2,1-2H3
InChIKeyPEKSDVSZJRGEDW-UHFFFAOYSA-N
XLogP-0.29
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
3-chloro-1-ethoxybut-3-en-2-ol
CID 130124858
1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol
CID 141307430
1-ethoxypentan-2-ol
CID 21201051
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-(1-butoxyethoxy)-2-(2-ethoxyethoxy)ethanol
CID 139893690
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
CID 57483531
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol?
The IUPAC name of 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol (CID 87485904) is 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol.
What is the SMILES notation for 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol?
The canonical SMILES for 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol is CCOCC(O)OC(O)COCC.
What is the InChIKey of 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol?
The InChIKey is PEKSDVSZJRGEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c1-3-11-5-7(9)13-8(10)6-12-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol?
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol has a molecular weight of 194.23 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol is sourced from PubChem (CID 87485904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).