1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol

C11H24O5 — CID 89027633

IUPAC1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
SMILESCCOCC(O)COCCOCC(O)CC
InChIInChI=1S/C11H24O5/c1-3-10(12)7-15-5-6-16-9-11(13)8-14-4-2/h10-13H,3-9H2,1-2H3
InChIKeyJCLXHFQCYALTSS-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.19
Rot. Bonds11

About 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol

1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol (PubChem CID 89027633) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
PubChem CID89027633
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
SMILESCCOCC(O)COCCOCC(O)CC
InChIInChI=1S/C11H24O5/c1-3-10(12)7-15-5-6-16-9-11(13)8-14-4-2/h10-13H,3-9H2,1-2H3
InChIKeyJCLXHFQCYALTSS-UHFFFAOYSA-N
XLogP0.19
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-(2-fluoroethoxy)butan-2-ol
CID 58952834
(2R)-1-butoxybutan-2-ol
CID 27255938
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol?
The IUPAC name of 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol (CID 89027633) is 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol.
What is the SMILES notation for 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol?
The canonical SMILES for 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol is CCOCC(O)COCCOCC(O)CC.
What is the InChIKey of 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol?
The InChIKey is JCLXHFQCYALTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-3-10(12)7-15-5-6-16-9-11(13)8-14-4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol?
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 0.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol is sourced from PubChem (CID 89027633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).