3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol

C12H24O4 — CID 89181158

IUPAC3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
SMILESC=COCCOC(C)CCOC(C)CCO
InChIInChI=1S/C12H24O4/c1-4-14-9-10-16-12(3)6-8-15-11(2)5-7-13/h4,11-13H,1,5-10H2,2-3H3
InChIKeyDXXSBXNVFIMRFB-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.73
Rot. Bonds11

About 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol

3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol (PubChem CID 89181158) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
PubChem CID89181158
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
SMILESC=COCCOC(C)CCOC(C)CCO
InChIInChI=1S/C12H24O4/c1-4-14-9-10-16-12(3)6-8-15-11(2)5-7-13/h4,11-13H,1,5-10H2,2-3H3
InChIKeyDXXSBXNVFIMRFB-UHFFFAOYSA-N
XLogP1.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-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

2-(2-ethenoxyethoxy)propane
CID 14510947
3-(2-ethenoxyethoxy)butan-2-ol
CID 90891465
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
2-(2-ethenoxyethoxy)-3-methylbutane
CID 164755037
2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
CID 118634410
3-(2-hydroxyethoxy)butyl formate
CID 88906039
1-(4-ethenoxybutoxy)-3-ethoxybutane
CID 146579743
3-[2-(propan-2-ylamino)ethoxy]butan-1-ol
CID 155331206
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
2-(2-ethenoxyethoxy)-3-hydroxypropanal
CID 91341078

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol?
The IUPAC name of 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol (CID 89181158) is 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol.
What is the SMILES notation for 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol?
The canonical SMILES for 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol is C=COCCOC(C)CCOC(C)CCO.
What is the InChIKey of 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol?
The InChIKey is DXXSBXNVFIMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-14-9-10-16-12(3)6-8-15-11(2)5-7-13/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol?
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 1.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol is sourced from PubChem (CID 89181158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).