2-buta-1,3-dienyloxane

C9H14O — CID 150390930

IUPAC2-buta-1,3-dienyloxane
SMILESC=CC=CC1CCCCO1
InChIInChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h2-3,6,9H,1,4-5,7-8H2
InChIKeyHBRNPFKPYROWNE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds2

About 2-buta-1,3-dienyloxane

2-buta-1,3-dienyloxane (PubChem CID 150390930) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-buta-1,3-dienyloxane.

Molecular Properties

Compound Name2-buta-1,3-dienyloxane
PubChem CID150390930
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-buta-1,3-dienyloxane
SMILESC=CC=CC1CCCCO1
InChIInChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h2-3,6,9H,1,4-5,7-8H2
InChIKeyHBRNPFKPYROWNE-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-buta-1,3-dienyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dienyloxane?
The IUPAC name of 2-buta-1,3-dienyloxane (CID 150390930) is 2-buta-1,3-dienyloxane.
What is the SMILES notation for 2-buta-1,3-dienyloxane?
The canonical SMILES for 2-buta-1,3-dienyloxane is C=CC=CC1CCCCO1.
What is the InChIKey of 2-buta-1,3-dienyloxane?
The InChIKey is HBRNPFKPYROWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h2-3,6,9H,1,4-5,7-8H2.
What are the key properties of 2-buta-1,3-dienyloxane?
2-buta-1,3-dienyloxane has a molecular weight of 138.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dienyloxane is sourced from PubChem (CID 150390930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).