(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane

C12H20O2 — CID 135049915

IUPAC(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane
SMILESCCOC1C/C(=C\CC=C(C)C)CO1
InChIInChI=1S/C12H20O2/c1-4-13-12-8-11(9-14-12)7-5-6-10(2)3/h6-7,12H,4-5,8-9H2,1-3H3/b11-7+
InChIKeyDUMGMQNMFOWAET-YRNVUSSQSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds4

About (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane

(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane (PubChem CID 135049915) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane.

Molecular Properties

Compound Name(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane
PubChem CID135049915
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane
SMILESCCOC1C/C(=C\CC=C(C)C)CO1
InChIInChI=1S/C12H20O2/c1-4-13-12-8-11(9-14-12)7-5-6-10(2)3/h6-7,12H,4-5,8-9H2,1-3H3/b11-7+
InChIKeyDUMGMQNMFOWAET-YRNVUSSQSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane?
The IUPAC name of (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane (CID 135049915) is (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane.
What is the SMILES notation for (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane?
The canonical SMILES for (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane is CCOC1C/C(=C\CC=C(C)C)CO1.
What is the InChIKey of (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane?
The InChIKey is DUMGMQNMFOWAET-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-13-12-8-11(9-14-12)7-5-6-10(2)3/h6-7,12H,4-5,8-9H2,1-3H3/b11-7+.
What are the key properties of (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane?
(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane is sourced from PubChem (CID 135049915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).