2-methyl-3,4,5-tris(prop-2-enoxy)oxane

C15H24O4 — CID 123450794

IUPAC2-methyl-3,4,5-tris(prop-2-enoxy)oxane
SMILESC=CCOC1COC(C)C(OCC=C)C1OCC=C
InChIInChI=1S/C15H24O4/c1-5-8-16-13-11-19-12(4)14(17-9-6-2)15(13)18-10-7-3/h5-7,12-15H,1-3,8-11H2,4H3
InChIKeyVCUYFEJEXDUESF-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.12
Rot. Bonds9

About 2-methyl-3,4,5-tris(prop-2-enoxy)oxane

2-methyl-3,4,5-tris(prop-2-enoxy)oxane (PubChem CID 123450794) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(prop-2-enoxy)oxane.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(prop-2-enoxy)oxane
PubChem CID123450794
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-methyl-3,4,5-tris(prop-2-enoxy)oxane
SMILESC=CCOC1COC(C)C(OCC=C)C1OCC=C
InChIInChI=1S/C15H24O4/c1-5-8-16-13-11-19-12(4)14(17-9-6-2)15(13)18-10-7-3/h5-7,12-15H,1-3,8-11H2,4H3
InChIKeyVCUYFEJEXDUESF-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-3,4,5-tris(prop-2-enoxy)oxane?
The IUPAC name of 2-methyl-3,4,5-tris(prop-2-enoxy)oxane (CID 123450794) is 2-methyl-3,4,5-tris(prop-2-enoxy)oxane.
What is the SMILES notation for 2-methyl-3,4,5-tris(prop-2-enoxy)oxane?
The canonical SMILES for 2-methyl-3,4,5-tris(prop-2-enoxy)oxane is C=CCOC1COC(C)C(OCC=C)C1OCC=C.
What is the InChIKey of 2-methyl-3,4,5-tris(prop-2-enoxy)oxane?
The InChIKey is VCUYFEJEXDUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-8-16-13-11-19-12(4)14(17-9-6-2)15(13)18-10-7-3/h5-7,12-15H,1-3,8-11H2,4H3.
What are the key properties of 2-methyl-3,4,5-tris(prop-2-enoxy)oxane?
2-methyl-3,4,5-tris(prop-2-enoxy)oxane has a molecular weight of 268.35 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(prop-2-enoxy)oxane is sourced from PubChem (CID 123450794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).