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

C12H18O — CID 67278700

IUPAC2,3,3-tris(prop-2-enyl)oxetane
SMILESC=CCC1OCC1(CC=C)CC=C
InChIInChI=1S/C12H18O/c1-4-7-11-12(8-5-2,9-6-3)10-13-11/h4-6,11H,1-3,7-10H2
InChIKeyRGWMMNHIDRNBOF-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.10
Rot. Bonds6

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

2,3,3-tris(prop-2-enyl)oxetane (PubChem CID 67278700) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2,3,3-tris(prop-2-enyl)oxetane.

Molecular Properties

Compound Name2,3,3-tris(prop-2-enyl)oxetane
PubChem CID67278700
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2,3,3-tris(prop-2-enyl)oxetane
SMILESC=CCC1OCC1(CC=C)CC=C
InChIInChI=1S/C12H18O/c1-4-7-11-12(8-5-2,9-6-3)10-13-11/h4-6,11H,1-3,7-10H2
InChIKeyRGWMMNHIDRNBOF-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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Related Compounds

2,5-Diethoxy-3-methyl-3-vinylhexane
CID 101607925
2,2,3,3-Tetrakis(prop-2-enyl)oxetane
CID 21525041
1-(1-Methoxybut-3-enyl)-1-methylcyclobutane
CID 54131849
5-Ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene
CID 56639398
2,3-Bis(prop-2-enyl)oxetane
CID 67278293
2,2,4-Tris(prop-2-enyl)oxetane
CID 67278565
2,3,4-Tris(prop-2-enyl)oxetane
CID 67278632
2,2,3-Tris(prop-2-enyl)oxetane
CID 67279425
3-But-3-enoxy-2,2-dimethylhexane
CID 91295867
3-Ethyl-2,3-dimethyl-2-prop-2-enyloxetane
CID 174682526
3-Ethyl-4-pentoxyhex-1-ene
CID 174917041
2-Methyl-2,4-bis(prop-2-enyl)oxetane
CID 176380559

Frequently Asked Questions

What is the IUPAC name of 2,3,3-tris(prop-2-enyl)oxetane?
The IUPAC name of 2,3,3-tris(prop-2-enyl)oxetane (CID 67278700) is 2,3,3-tris(prop-2-enyl)oxetane.
What is the SMILES notation for 2,3,3-tris(prop-2-enyl)oxetane?
The canonical SMILES for 2,3,3-tris(prop-2-enyl)oxetane is C=CCC1OCC1(CC=C)CC=C.
What is the InChIKey of 2,3,3-tris(prop-2-enyl)oxetane?
The InChIKey is RGWMMNHIDRNBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-7-11-12(8-5-2,9-6-3)10-13-11/h4-6,11H,1-3,7-10H2.
What are the key properties of 2,3,3-tris(prop-2-enyl)oxetane?
2,3,3-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 2,3,3-tris(prop-2-enyl)oxetane is sourced from PubChem (CID 67278700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).