4-prop-1-en-2-yloxybut-1-ene

C7H12O — CID 135043193

IUPAC4-prop-1-en-2-yloxybut-1-ene
SMILESC=CCCOC(=C)C
InChIInChI=1S/C7H12O/c1-4-5-6-8-7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyNJFZQTDCQVBVJQ-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.11
Rot. Bonds4

About 4-prop-1-en-2-yloxybut-1-ene

4-prop-1-en-2-yloxybut-1-ene (PubChem CID 135043193) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4-prop-1-en-2-yloxybut-1-ene.

Molecular Properties

Compound Name4-prop-1-en-2-yloxybut-1-ene
PubChem CID135043193
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4-prop-1-en-2-yloxybut-1-ene
SMILESC=CCCOC(=C)C
InChIInChI=1S/C7H12O/c1-4-5-6-8-7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyNJFZQTDCQVBVJQ-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-prop-1-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 4-prop-1-en-2-yloxybut-1-ene?
The IUPAC name of 4-prop-1-en-2-yloxybut-1-ene (CID 135043193) is 4-prop-1-en-2-yloxybut-1-ene.
What is the SMILES notation for 4-prop-1-en-2-yloxybut-1-ene?
The canonical SMILES for 4-prop-1-en-2-yloxybut-1-ene is C=CCCOC(=C)C.
What is the InChIKey of 4-prop-1-en-2-yloxybut-1-ene?
The InChIKey is NJFZQTDCQVBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-5-6-8-7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of 4-prop-1-en-2-yloxybut-1-ene?
4-prop-1-en-2-yloxybut-1-ene has a molecular weight of 112.17 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yloxybut-1-ene is sourced from PubChem (CID 135043193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).