2-(buta-1,3-dienoxymethyl)oxolane

C9H14O2 — CID 118966129

IUPAC2-(buta-1,3-dienoxymethyl)oxolane
SMILESC=CC=COCC1CCCO1
InChIInChI=1S/C9H14O2/c1-2-3-6-10-8-9-5-4-7-11-9/h2-3,6,9H,1,4-5,7-8H2
InChIKeyARQQUTHEUHZOGY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds4

About 2-(buta-1,3-dienoxymethyl)oxolane

2-(buta-1,3-dienoxymethyl)oxolane (PubChem CID 118966129) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(buta-1,3-dienoxymethyl)oxolane.

Molecular Properties

Compound Name2-(buta-1,3-dienoxymethyl)oxolane
PubChem CID118966129
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(buta-1,3-dienoxymethyl)oxolane
SMILESC=CC=COCC1CCCO1
InChIInChI=1S/C9H14O2/c1-2-3-6-10-8-9-5-4-7-11-9/h2-3,6,9H,1,4-5,7-8H2
InChIKeyARQQUTHEUHZOGY-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(buta-1,3-dienoxymethyl)oxolane?
The IUPAC name of 2-(buta-1,3-dienoxymethyl)oxolane (CID 118966129) is 2-(buta-1,3-dienoxymethyl)oxolane.
What is the SMILES notation for 2-(buta-1,3-dienoxymethyl)oxolane?
The canonical SMILES for 2-(buta-1,3-dienoxymethyl)oxolane is C=CC=COCC1CCCO1.
What is the InChIKey of 2-(buta-1,3-dienoxymethyl)oxolane?
The InChIKey is ARQQUTHEUHZOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-6-10-8-9-5-4-7-11-9/h2-3,6,9H,1,4-5,7-8H2.
What are the key properties of 2-(buta-1,3-dienoxymethyl)oxolane?
2-(buta-1,3-dienoxymethyl)oxolane has a molecular weight of 154.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(buta-1,3-dienoxymethyl)oxolane is sourced from PubChem (CID 118966129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).