4-(3-ethenoxypropyl)oxane

C10H18O2 — CID 176605071

IUPAC4-(3-ethenoxypropyl)oxane
SMILESC=COCCCC1CCOCC1
InChIInChI=1S/C10H18O2/c1-2-11-7-3-4-10-5-8-12-9-6-10/h2,10H,1,3-9H2
InChIKeyFBOTXMACNGODKO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 4-(3-ethenoxypropyl)oxane

4-(3-ethenoxypropyl)oxane (PubChem CID 176605071) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(3-ethenoxypropyl)oxane.

Molecular Properties

Compound Name4-(3-ethenoxypropyl)oxane
PubChem CID176605071
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(3-ethenoxypropyl)oxane
SMILESC=COCCCC1CCOCC1
InChIInChI=1S/C10H18O2/c1-2-11-7-3-4-10-5-8-12-9-6-10/h2,10H,1,3-9H2
InChIKeyFBOTXMACNGODKO-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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 4-(3-ethenoxypropyl)oxane 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 4-(3-ethenoxypropyl)oxane?
The IUPAC name of 4-(3-ethenoxypropyl)oxane (CID 176605071) is 4-(3-ethenoxypropyl)oxane.
What is the SMILES notation for 4-(3-ethenoxypropyl)oxane?
The canonical SMILES for 4-(3-ethenoxypropyl)oxane is C=COCCCC1CCOCC1.
What is the InChIKey of 4-(3-ethenoxypropyl)oxane?
The InChIKey is FBOTXMACNGODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-11-7-3-4-10-5-8-12-9-6-10/h2,10H,1,3-9H2.
What are the key properties of 4-(3-ethenoxypropyl)oxane?
4-(3-ethenoxypropyl)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenoxypropyl)oxane is sourced from PubChem (CID 176605071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).