3-[3-[(E)-prop-1-enoxy]propyl]oxane

C11H20O2 — CID 176604178

IUPAC3-[3-[(E)-prop-1-enoxy]propyl]oxane
SMILESC/C=C/OCCCC1CCCOC1
InChIInChI=1S/C11H20O2/c1-2-7-12-8-3-5-11-6-4-9-13-10-11/h2,7,11H,3-6,8-10H2,1H3/b7-2+
InChIKeyHVGFAZJLRPTEMO-FARCUNLSSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds5

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

3-[3-[(E)-prop-1-enoxy]propyl]oxane (PubChem CID 176604178) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[3-[(E)-prop-1-enoxy]propyl]oxane.

Molecular Properties

Compound Name3-[3-[(E)-prop-1-enoxy]propyl]oxane
PubChem CID176604178
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[3-[(E)-prop-1-enoxy]propyl]oxane
SMILESC/C=C/OCCCC1CCCOC1
InChIInChI=1S/C11H20O2/c1-2-7-12-8-3-5-11-6-4-9-13-10-11/h2,7,11H,3-6,8-10H2,1H3/b7-2+
InChIKeyHVGFAZJLRPTEMO-FARCUNLSSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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-[3-[(E)-prop-1-enoxy]propyl]oxane?
The IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]oxane (CID 176604178) is 3-[3-[(E)-prop-1-enoxy]propyl]oxane.
What is the SMILES notation for 3-[3-[(E)-prop-1-enoxy]propyl]oxane?
The canonical SMILES for 3-[3-[(E)-prop-1-enoxy]propyl]oxane is C/C=C/OCCCC1CCCOC1.
What is the InChIKey of 3-[3-[(E)-prop-1-enoxy]propyl]oxane?
The InChIKey is HVGFAZJLRPTEMO-FARCUNLSSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-7-12-8-3-5-11-6-4-9-13-10-11/h2,7,11H,3-6,8-10H2,1H3/b7-2+.
What are the key properties of 3-[3-[(E)-prop-1-enoxy]propyl]oxane?
3-[3-[(E)-prop-1-enoxy]propyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-prop-1-enoxy]propyl]oxane is sourced from PubChem (CID 176604178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).