1,2,3-tris(ethenoxy)butane

C10H16O3 — CID 156776745

IUPAC1,2,3-tris(ethenoxy)butane
SMILESC=COCC(OC=C)C(C)OC=C
InChIInChI=1S/C10H16O3/c1-5-11-8-10(13-7-3)9(4)12-6-2/h5-7,9-10H,1-3,8H2,4H3
InChIKeyGNNLWRVTXPJDPO-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.22
Rot. Bonds8

About 1,2,3-tris(ethenoxy)butane

1,2,3-tris(ethenoxy)butane (PubChem CID 156776745) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,2,3-tris(ethenoxy)butane.

Molecular Properties

Compound Name1,2,3-tris(ethenoxy)butane
PubChem CID156776745
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1,2,3-tris(ethenoxy)butane
SMILESC=COCC(OC=C)C(C)OC=C
InChIInChI=1S/C10H16O3/c1-5-11-8-10(13-7-3)9(4)12-6-2/h5-7,9-10H,1-3,8H2,4H3
InChIKeyGNNLWRVTXPJDPO-UHFFFAOYSA-N
XLogP2.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,3-tris(ethenoxy)butane 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-Butoxy-2-vinyloxy ethane
CID 20207
2-[(Z)-2-propan-2-yloxyethenoxy]propane
CID 102121609
1,2,3-Tris(ethenyloxy)propane
CID 13516599
1,3-Bis(ethenyloxy)butane
CID 14533870
1,2-Bis(ethenyloxy)propane
CID 15570361
2-(2-Ethenoxyethoxy)butane
CID 60110729
2-[(E)-2-propan-2-yloxyethenoxy]propane
CID 12388021
2,3-Bis(ethenoxy)butane
CID 14533869
1-Ethenoxy-2-[2-(2-ethenoxypropoxy)propoxy]propane
CID 17888169
1-[(E)-2-(2-ethoxyethoxy)ethenoxy]butane
CID 18003113
2-(1-Ethenoxyethyl)oxirane
CID 18937463
2-Ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane
CID 19763662

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(ethenoxy)butane?
The IUPAC name of 1,2,3-tris(ethenoxy)butane (CID 156776745) is 1,2,3-tris(ethenoxy)butane.
What is the SMILES notation for 1,2,3-tris(ethenoxy)butane?
The canonical SMILES for 1,2,3-tris(ethenoxy)butane is C=COCC(OC=C)C(C)OC=C.
What is the InChIKey of 1,2,3-tris(ethenoxy)butane?
The InChIKey is GNNLWRVTXPJDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-11-8-10(13-7-3)9(4)12-6-2/h5-7,9-10H,1-3,8H2,4H3.
What are the key properties of 1,2,3-tris(ethenoxy)butane?
1,2,3-tris(ethenoxy)butane has a molecular weight of 184.23 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(ethenoxy)butane is sourced from PubChem (CID 156776745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).