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

C12H22O2 — CID 176605332

IUPAC2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1(CC)CCCO1
InChIInChI=1S/C12H22O2/c1-3-9-13-10-5-7-12(4-2)8-6-11-14-12/h3,9H,4-8,10-11H2,1-2H3/b9-3+
InChIKeyFKRDPOKAIHXFJC-YCRREMRBSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds6

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

2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane (PubChem CID 176605332) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane.

Molecular Properties

Compound Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
PubChem CID176605332
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1(CC)CCCO1
InChIInChI=1S/C12H22O2/c1-3-9-13-10-5-7-12(4-2)8-6-11-14-12/h3,9H,4-8,10-11H2,1-2H3/b9-3+
InChIKeyFKRDPOKAIHXFJC-YCRREMRBSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
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

2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176603037
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603384
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603514
2-(3-Ethenoxypropyl)-2-ethyloxolane
CID 176603924
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604262
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604612
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176605385

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane (CID 176605332) is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane.
What is the SMILES notation for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The canonical SMILES for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane is C/C=C/OCCCC1(CC)CCCO1.
What is the InChIKey of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The InChIKey is FKRDPOKAIHXFJC-YCRREMRBSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-9-13-10-5-7-12(4-2)8-6-11-14-12/h3,9H,4-8,10-11H2,1-2H3/b9-3+.
What are the key properties of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane is sourced from PubChem (CID 176605332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).