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

C10H18O2 — CID 176603241

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OC(C)C1CCCCO1
InChIInChI=1S/C10H18O2/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+
InChIKeyVRLJTKINHGBKRS-XVNBXDOJSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds3

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

2-[1-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176603241) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176603241
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OC(C)C1CCCCO1
InChIInChI=1S/C10H18O2/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+
InChIKeyVRLJTKINHGBKRS-XVNBXDOJSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]oxane (CID 176603241) is 2-[1-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OC(C)C1CCCCO1.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is VRLJTKINHGBKRS-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]oxane?
2-[1-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176603241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).