[2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene

C15H22O2Se — CID 10519236

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene
SMILESC=CCOC(C[Se]c1ccccc1)OC(C)(C)C
InChIInChI=1S/C15H22O2Se/c1-5-11-16-14(17-15(2,3)4)12-18-13-9-7-6-8-10-13/h5-10,14H,1,11-12H2,2-4H3
InChIKeyKGDDSZJWEZZDPH-UHFFFAOYSA-N
MW313.30 g/mol
LogP2.78
Rot. Bonds7

About [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene

[2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene (PubChem CID 10519236) has the molecular formula C15H22O2Se and a molecular weight of 313.30 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene
PubChem CID10519236
Molecular FormulaC15H22O2Se
Molecular Weight313.30 g/mol
Exact Mass314.08
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene
SMILESC=CCOC(C[Se]c1ccccc1)OC(C)(C)C
InChIInChI=1S/C15H22O2Se/c1-5-11-16-14(17-15(2,3)4)12-18-13-9-7-6-8-10-13/h5-10,14H,1,11-12H2,2-4H3
InChIKeyKGDDSZJWEZZDPH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene (CID 10519236) is [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene is C=CCOC(C[Se]c1ccccc1)OC(C)(C)C.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene?
The InChIKey is KGDDSZJWEZZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Se/c1-5-11-16-14(17-15(2,3)4)12-18-13-9-7-6-8-10-13/h5-10,14H,1,11-12H2,2-4H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene?
[2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene has a molecular weight of 313.30 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-prop-2-enoxyethyl]selanylbenzene is sourced from PubChem (CID 10519236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).