2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol

C15H26O4 — CID 134856650

IUPAC2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol
SMILESC=CCC(CO)(CO)C/C=C/COC1CCCCO1
InChIInChI=1S/C15H26O4/c1-2-8-15(12-16,13-17)9-4-6-11-19-14-7-3-5-10-18-14/h2,4,6,14,16-17H,1,3,5,7-13H2/b6-4+
InChIKeyYNQOAEAILIDMMW-GQCTYLIASA-N
MW270.37 g/mol
LogP2.02
Rot. Bonds9

About 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol

2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol (PubChem CID 134856650) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol
PubChem CID134856650
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol
SMILESC=CCC(CO)(CO)C/C=C/COC1CCCCO1
InChIInChI=1S/C15H26O4/c1-2-8-15(12-16,13-17)9-4-6-11-19-14-7-3-5-10-18-14/h2,4,6,14,16-17H,1,3,5,7-13H2/b6-4+
InChIKeyYNQOAEAILIDMMW-GQCTYLIASA-N
XLogP2.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol?
The IUPAC name of 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol (CID 134856650) is 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol.
What is the SMILES notation for 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol?
The canonical SMILES for 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol is C=CCC(CO)(CO)C/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol?
The InChIKey is YNQOAEAILIDMMW-GQCTYLIASA-N. The full InChI is InChI=1S/C15H26O4/c1-2-8-15(12-16,13-17)9-4-6-11-19-14-7-3-5-10-18-14/h2,4,6,14,16-17H,1,3,5,7-13H2/b6-4+.
What are the key properties of 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol?
2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol has a molecular weight of 270.37 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-2-prop-2-enylpropane-1,3-diol is sourced from PubChem (CID 134856650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).