4-[2-[(E)-prop-1-enoxy]ethyl]oxane

C10H18O2 — CID 176603628

IUPAC4-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1CCOCC1
InChIInChI=1S/C10H18O2/c1-2-6-11-7-3-10-4-8-12-9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyZBGYRUWVYKTTAX-QHHAFSJGSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 4-[2-[(E)-prop-1-enoxy]ethyl]oxane

4-[2-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176603628) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-[2-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name4-[2-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176603628
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1CCOCC1
InChIInChI=1S/C10H18O2/c1-2-6-11-7-3-10-4-8-12-9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyZBGYRUWVYKTTAX-QHHAFSJGSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

4-(2-Ethenoxyethyl)oxane
CID 89839779
4-Ethyloxane;prop-1-ene
CID 143091754
4-Methyloxane;prop-1-ene
CID 145155241
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
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
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176604178

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 4-[2-[(E)-prop-1-enoxy]ethyl]oxane (CID 176603628) is 4-[2-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 4-[2-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OCCC1CCOCC1.
What is the InChIKey of 4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is ZBGYRUWVYKTTAX-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-6-11-7-3-10-4-8-12-9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+.
What are the key properties of 4-[2-[(E)-prop-1-enoxy]ethyl]oxane?
4-[2-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176603628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).