2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane

C23H36O2 — CID 11221645

IUPAC2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane
SMILESCC(C)c1cc(C(C)C)c(C/C=C/OC2CCCCO2)c(C(C)C)c1
InChIInChI=1S/C23H36O2/c1-16(2)19-14-21(17(3)4)20(22(15-19)18(5)6)10-9-13-25-23-11-7-8-12-24-23/h9,13-18,23H,7-8,10-12H2,1-6H3/b13-9+
InChIKeyFLCRLHPPZBQDTR-UKTHLTGXSA-N
MW344.54 g/mol
LogP6.66
Rot. Bonds7

About 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane

2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane (PubChem CID 11221645) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane
PubChem CID11221645
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane
SMILESCC(C)c1cc(C(C)C)c(C/C=C/OC2CCCCO2)c(C(C)C)c1
InChIInChI=1S/C23H36O2/c1-16(2)19-14-21(17(3)4)20(22(15-19)18(5)6)10-9-13-25-23-11-7-8-12-24-23/h9,13-18,23H,7-8,10-12H2,1-6H3/b13-9+
InChIKeyFLCRLHPPZBQDTR-UKTHLTGXSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane 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 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane?
The IUPAC name of 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane (CID 11221645) is 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane.
What is the SMILES notation for 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane?
The canonical SMILES for 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane is CC(C)c1cc(C(C)C)c(C/C=C/OC2CCCCO2)c(C(C)C)c1.
What is the InChIKey of 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane?
The InChIKey is FLCRLHPPZBQDTR-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H36O2/c1-16(2)19-14-21(17(3)4)20(22(15-19)18(5)6)10-9-13-25-23-11-7-8-12-24-23/h9,13-18,23H,7-8,10-12H2,1-6H3/b13-9+.
What are the key properties of 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane?
2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane has a molecular weight of 344.54 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane is sourced from PubChem (CID 11221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).