2-buta-2,3-dienoxyoxane

C9H14O2 — CID 12778572

IUPAC2-buta-2,3-dienoxyoxane
SMILESC=C=CCOC1CCCCO1
InChIInChI=1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h3,9H,1,4-8H2
InChIKeyPRDFKTLIRQBRGQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.87
Rot. Bonds3

About 2-buta-2,3-dienoxyoxane

2-buta-2,3-dienoxyoxane (PubChem CID 12778572) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-buta-2,3-dienoxyoxane.

Molecular Properties

Compound Name2-buta-2,3-dienoxyoxane
PubChem CID12778572
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-buta-2,3-dienoxyoxane
SMILESC=C=CCOC1CCCCO1
InChIInChI=1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h3,9H,1,4-8H2
InChIKeyPRDFKTLIRQBRGQ-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dienoxyoxane?
The IUPAC name of 2-buta-2,3-dienoxyoxane (CID 12778572) is 2-buta-2,3-dienoxyoxane.
What is the SMILES notation for 2-buta-2,3-dienoxyoxane?
The canonical SMILES for 2-buta-2,3-dienoxyoxane is C=C=CCOC1CCCCO1.
What is the InChIKey of 2-buta-2,3-dienoxyoxane?
The InChIKey is PRDFKTLIRQBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h3,9H,1,4-8H2.
What are the key properties of 2-buta-2,3-dienoxyoxane?
2-buta-2,3-dienoxyoxane has a molecular weight of 154.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dienoxyoxane is sourced from PubChem (CID 12778572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).