1,4-bis(ethenoxy)heptane

C11H20O2 — CID 89148003

IUPAC1,4-bis(ethenoxy)heptane
SMILESC=COCCCC(CCC)OC=C
InChIInChI=1S/C11H20O2/c1-4-8-11(13-6-3)9-7-10-12-5-2/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXWNXQHCREIGYIU-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.26
Rot. Bonds9

About 1,4-bis(ethenoxy)heptane

1,4-bis(ethenoxy)heptane (PubChem CID 89148003) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)heptane.

Molecular Properties

Compound Name1,4-bis(ethenoxy)heptane
PubChem CID89148003
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1,4-bis(ethenoxy)heptane
SMILESC=COCCCC(CCC)OC=C
InChIInChI=1S/C11H20O2/c1-4-8-11(13-6-3)9-7-10-12-5-2/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXWNXQHCREIGYIU-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.26
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 1,4-bis(ethenoxy)heptane 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 1,4-bis(ethenoxy)heptane?
The IUPAC name of 1,4-bis(ethenoxy)heptane (CID 89148003) is 1,4-bis(ethenoxy)heptane.
What is the SMILES notation for 1,4-bis(ethenoxy)heptane?
The canonical SMILES for 1,4-bis(ethenoxy)heptane is C=COCCCC(CCC)OC=C.
What is the InChIKey of 1,4-bis(ethenoxy)heptane?
The InChIKey is XWNXQHCREIGYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8-11(13-6-3)9-7-10-12-5-2/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1,4-bis(ethenoxy)heptane?
1,4-bis(ethenoxy)heptane has a molecular weight of 184.28 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)heptane is sourced from PubChem (CID 89148003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).