2,3,4-tris(prop-2-enyl)oxetane

C12H18O — CID 67278632

IUPAC2,3,4-tris(prop-2-enyl)oxetane
SMILESC=CCC1OC(CC=C)C1CC=C
InChIInChI=1S/C12H18O/c1-4-7-10-11(8-5-2)13-12(10)9-6-3/h4-6,10-12H,1-3,7-9H2
InChIKeyLLDPDBGAIDZFJR-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.10
Rot. Bonds6

About 2,3,4-tris(prop-2-enyl)oxetane

2,3,4-tris(prop-2-enyl)oxetane (PubChem CID 67278632) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2,3,4-tris(prop-2-enyl)oxetane.

Molecular Properties

Compound Name2,3,4-tris(prop-2-enyl)oxetane
PubChem CID67278632
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2,3,4-tris(prop-2-enyl)oxetane
SMILESC=CCC1OC(CC=C)C1CC=C
InChIInChI=1S/C12H18O/c1-4-7-10-11(8-5-2)13-12(10)9-6-3/h4-6,10-12H,1-3,7-9H2
InChIKeyLLDPDBGAIDZFJR-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(prop-2-enyl)oxetane?
The IUPAC name of 2,3,4-tris(prop-2-enyl)oxetane (CID 67278632) is 2,3,4-tris(prop-2-enyl)oxetane.
What is the SMILES notation for 2,3,4-tris(prop-2-enyl)oxetane?
The canonical SMILES for 2,3,4-tris(prop-2-enyl)oxetane is C=CCC1OC(CC=C)C1CC=C.
What is the InChIKey of 2,3,4-tris(prop-2-enyl)oxetane?
The InChIKey is LLDPDBGAIDZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-7-10-11(8-5-2)13-12(10)9-6-3/h4-6,10-12H,1-3,7-9H2.
What are the key properties of 2,3,4-tris(prop-2-enyl)oxetane?
2,3,4-tris(prop-2-enyl)oxetane has a molecular weight of 178.27 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(prop-2-enyl)oxetane is sourced from PubChem (CID 67278632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).