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

C11H20O2 — CID 176603217

IUPAC2-[3-[(E)-prop-1-enoxy]propyl]oxane
SMILESC/C=C/OCCCC1CCCCO1
InChIInChI=1S/C11H20O2/c1-2-8-12-9-5-7-11-6-3-4-10-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+
InChIKeyQHNNKOSOQBWKKD-KRXBUXKQSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

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

2-[3-[(E)-prop-1-enoxy]propyl]oxane (PubChem CID 176603217) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[3-[(E)-prop-1-enoxy]propyl]oxane.

Molecular Properties

Compound Name2-[3-[(E)-prop-1-enoxy]propyl]oxane
PubChem CID176603217
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[3-[(E)-prop-1-enoxy]propyl]oxane
SMILESC/C=C/OCCCC1CCCCO1
InChIInChI=1S/C11H20O2/c1-2-8-12-9-5-7-11-6-3-4-10-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+
InChIKeyQHNNKOSOQBWKKD-KRXBUXKQSA-N
XLogP2.89
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 ≤ 52.89
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

Cyclododecane, (1-propenyloxy)-
CID 5374044
2-[(E)-prop-1-enoxy]decane
CID 23217734
1,6-Bis(prop-1-enoxy)octane
CID 53934114
1,8-Bis(prop-1-enoxy)octane
CID 54370507
1,6-Bis(prop-1-enoxy)decane
CID 87891837
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
2,8-Bis(prop-1-en-2-yloxy)nonane
CID 132078446
1-Ethenoxy-10-prop-1-enoxydecane
CID 149646457
2-Prop-1-enoxydecane
CID 150008525
1,9-Bis(prop-1-enoxy)nonane
CID 150917428
1-Ethenoxy-9-prop-1-enoxynonane
CID 152314073
2-(3-But-1-enoxypropyl)-4,4-dimethoxyoxane
CID 152520167

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]oxane?
The IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]oxane (CID 176603217) is 2-[3-[(E)-prop-1-enoxy]propyl]oxane.
What is the SMILES notation for 2-[3-[(E)-prop-1-enoxy]propyl]oxane?
The canonical SMILES for 2-[3-[(E)-prop-1-enoxy]propyl]oxane is C/C=C/OCCCC1CCCCO1.
What is the InChIKey of 2-[3-[(E)-prop-1-enoxy]propyl]oxane?
The InChIKey is QHNNKOSOQBWKKD-KRXBUXKQSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-8-12-9-5-7-11-6-3-4-10-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+.
What are the key properties of 2-[3-[(E)-prop-1-enoxy]propyl]oxane?
2-[3-[(E)-prop-1-enoxy]propyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-prop-1-enoxy]propyl]oxane is sourced from PubChem (CID 176603217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).