2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane

C10H18O2 — CID 10821052

IUPAC2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane
SMILESCCO/C=C(\C)CC1CCCO1
InChIInChI=1S/C10H18O2/c1-3-11-8-9(2)7-10-5-4-6-12-10/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyQGLOYTGZOPVKBG-CMDGGOBGSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

About 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane

2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane (PubChem CID 10821052) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane
PubChem CID10821052
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane
SMILESCCO/C=C(\C)CC1CCCO1
InChIInChI=1S/C10H18O2/c1-3-11-8-9(2)7-10-5-4-6-12-10/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyQGLOYTGZOPVKBG-CMDGGOBGSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
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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Related Compounds

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CID 13291791
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CID 19883176
4-(Oxolan-2-yl)-2,3-dihydrofuran
CID 20504360
4-(Methoxymethylidene)-2,6-dimethyloxane
CID 58424345
2-Butyl-5-methylideneoxolane
CID 59219377
(2R,6S)-4-(methoxymethylene)-2,6-dimethyltetrahydro-2H-pyran
CID 66936926
4-Octyl-2,3-dihydrofuran;hydrate
CID 67745231
2,4-Diethyl-2,3-dihydrofuran
CID 69220102
3-Methoxymethylene-8-oxa-bicyclo[3.2.1]octane
CID 86259518
2-Methylidene-5-octyloxolane
CID 89616979
2-Methylidene-5-pentyloxolane
CID 89617022
2-(2-Methylprop-2-enyl)oxolane
CID 102285856

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane?
The IUPAC name of 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane (CID 10821052) is 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane.
What is the SMILES notation for 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane?
The canonical SMILES for 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane is CCO/C=C(\C)CC1CCCO1.
What is the InChIKey of 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane?
The InChIKey is QGLOYTGZOPVKBG-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-8-9(2)7-10-5-4-6-12-10/h8,10H,3-7H2,1-2H3/b9-8+.
What are the key properties of 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane?
2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-ethoxy-2-methylprop-2-enyl]oxolane is sourced from PubChem (CID 10821052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).