3-[2-[(E)-prop-1-enoxy]ethyl]oxane

C10H18O2 — CID 176604779

IUPAC3-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1CCCOC1
InChIInChI=1S/C10H18O2/c1-2-6-11-8-5-10-4-3-7-12-9-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyKLSJLTDEBRQWQJ-QHHAFSJGSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 3-[2-[(E)-prop-1-enoxy]ethyl]oxane

3-[2-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176604779) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[2-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name3-[2-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176604779
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1CCCOC1
InChIInChI=1S/C10H18O2/c1-2-6-11-8-5-10-4-3-7-12-9-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyKLSJLTDEBRQWQJ-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]oxane (CID 176604779) is 3-[2-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 3-[2-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OCCC1CCCOC1.
What is the InChIKey of 3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is KLSJLTDEBRQWQJ-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-6-11-8-5-10-4-3-7-12-9-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+.
What are the key properties of 3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
3-[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 3-[2-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176604779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).