4-[1-[(E)-prop-1-enoxy]ethyl]oxane

C10H18O2 — CID 176604227

IUPAC4-[1-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OC(C)C1CCOCC1
InChIInChI=1S/C10H18O2/c1-3-6-12-9(2)10-4-7-11-8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyZZKJOLPDDKRWEZ-ZZXKWVIFSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 4-[1-[(E)-prop-1-enoxy]ethyl]oxane

4-[1-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176604227) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-[1-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name4-[1-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176604227
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-[1-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OC(C)C1CCOCC1
InChIInChI=1S/C10H18O2/c1-3-6-12-9(2)10-4-7-11-8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyZZKJOLPDDKRWEZ-ZZXKWVIFSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 4-[1-[(E)-prop-1-enoxy]ethyl]oxane 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-Ethoxy-2-(2-prop-1-enoxyethyl)cyclobutane
CID 150416328
2-(1-Prop-1-enoxybutan-2-yl)oxirane
CID 154281524
4-Methyl-3-prop-1-en-2-yloxyoxane
CID 166820795
4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603165
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447
4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603628
4-(1-Ethenoxyethyl)oxane
CID 176603698
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
4-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604502
3-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604779

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 4-[1-[(E)-prop-1-enoxy]ethyl]oxane (CID 176604227) is 4-[1-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 4-[1-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 4-[1-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OC(C)C1CCOCC1.
What is the InChIKey of 4-[1-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is ZZKJOLPDDKRWEZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-12-9(2)10-4-7-11-8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of 4-[1-[(E)-prop-1-enoxy]ethyl]oxane?
4-[1-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176604227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).