2-ethoxy-6-[(E)-prop-1-enoxy]oxane

C10H18O3 — CID 134890634

IUPAC2-ethoxy-6-[(E)-prop-1-enoxy]oxane
SMILESC/C=C/OC1CCCC(OCC)O1
InChIInChI=1S/C10H18O3/c1-3-8-12-10-7-5-6-9(13-10)11-4-2/h3,8-10H,4-7H2,1-2H3/b8-3+
InChIKeyLUJXHYIEZUHDPE-FPYGCLRLSA-N
MW186.25 g/mol
LogP2.43
Rot. Bonds4

About 2-ethoxy-6-[(E)-prop-1-enoxy]oxane

2-ethoxy-6-[(E)-prop-1-enoxy]oxane (PubChem CID 134890634) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-prop-1-enoxy]oxane.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-prop-1-enoxy]oxane
PubChem CID134890634
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethoxy-6-[(E)-prop-1-enoxy]oxane
SMILESC/C=C/OC1CCCC(OCC)O1
InChIInChI=1S/C10H18O3/c1-3-8-12-10-7-5-6-9(13-10)11-4-2/h3,8-10H,4-7H2,1-2H3/b8-3+
InChIKeyLUJXHYIEZUHDPE-FPYGCLRLSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(E)-prop-1-enoxy]oxane?
The IUPAC name of 2-ethoxy-6-[(E)-prop-1-enoxy]oxane (CID 134890634) is 2-ethoxy-6-[(E)-prop-1-enoxy]oxane.
What is the SMILES notation for 2-ethoxy-6-[(E)-prop-1-enoxy]oxane?
The canonical SMILES for 2-ethoxy-6-[(E)-prop-1-enoxy]oxane is C/C=C/OC1CCCC(OCC)O1.
What is the InChIKey of 2-ethoxy-6-[(E)-prop-1-enoxy]oxane?
The InChIKey is LUJXHYIEZUHDPE-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8-12-10-7-5-6-9(13-10)11-4-2/h3,8-10H,4-7H2,1-2H3/b8-3+.
What are the key properties of 2-ethoxy-6-[(E)-prop-1-enoxy]oxane?
2-ethoxy-6-[(E)-prop-1-enoxy]oxane has a molecular weight of 186.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(E)-prop-1-enoxy]oxane is sourced from PubChem (CID 134890634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).