1,3-bis(ethenoxy)butane

C8H14O2 — CID 14533870

IUPAC1,3-bis(ethenoxy)butane
SMILESC=COCCC(C)OC=C
InChIInChI=1S/C8H14O2/c1-4-9-7-6-8(3)10-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyQVOHHWQAOFEPOQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.09
Rot. Bonds6

About 1,3-bis(ethenoxy)butane

1,3-bis(ethenoxy)butane (PubChem CID 14533870) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)butane.

Molecular Properties

Compound Name1,3-bis(ethenoxy)butane
PubChem CID14533870
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,3-bis(ethenoxy)butane
SMILESC=COCCC(C)OC=C
InChIInChI=1S/C8H14O2/c1-4-9-7-6-8(3)10-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyQVOHHWQAOFEPOQ-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-bis(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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenoxy)butane?
The IUPAC name of 1,3-bis(ethenoxy)butane (CID 14533870) is 1,3-bis(ethenoxy)butane.
What is the SMILES notation for 1,3-bis(ethenoxy)butane?
The canonical SMILES for 1,3-bis(ethenoxy)butane is C=COCCC(C)OC=C.
What is the InChIKey of 1,3-bis(ethenoxy)butane?
The InChIKey is QVOHHWQAOFEPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-9-7-6-8(3)10-5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 1,3-bis(ethenoxy)butane?
1,3-bis(ethenoxy)butane has a molecular weight of 142.20 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)butane is sourced from PubChem (CID 14533870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).