3-but-3-en-2-yloxybut-1-ene

C8H14O — CID 14533157

IUPAC3-but-3-en-2-yloxybut-1-ene
SMILESC=CC(C)OC(C)C=C
InChIInChI=1S/C8H14O/c1-5-7(3)9-8(4)6-2/h5-8H,1-2H2,3-4H3
InChIKeyOVYOJUIHDBHLFM-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.15
Rot. Bonds4

About 3-but-3-en-2-yloxybut-1-ene

3-but-3-en-2-yloxybut-1-ene (PubChem CID 14533157) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-but-3-en-2-yloxybut-1-ene.

Molecular Properties

Compound Name3-but-3-en-2-yloxybut-1-ene
PubChem CID14533157
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-but-3-en-2-yloxybut-1-ene
SMILESC=CC(C)OC(C)C=C
InChIInChI=1S/C8H14O/c1-5-7(3)9-8(4)6-2/h5-8H,1-2H2,3-4H3
InChIKeyOVYOJUIHDBHLFM-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-but-3-en-2-yloxybut-1-ene 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 3-but-3-en-2-yloxybut-1-ene?
The IUPAC name of 3-but-3-en-2-yloxybut-1-ene (CID 14533157) is 3-but-3-en-2-yloxybut-1-ene.
What is the SMILES notation for 3-but-3-en-2-yloxybut-1-ene?
The canonical SMILES for 3-but-3-en-2-yloxybut-1-ene is C=CC(C)OC(C)C=C.
What is the InChIKey of 3-but-3-en-2-yloxybut-1-ene?
The InChIKey is OVYOJUIHDBHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-7(3)9-8(4)6-2/h5-8H,1-2H2,3-4H3.
What are the key properties of 3-but-3-en-2-yloxybut-1-ene?
3-but-3-en-2-yloxybut-1-ene has a molecular weight of 126.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxybut-1-ene is sourced from PubChem (CID 14533157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).