pent-4-en-2-yl phenylselanylformate

C12H14O2Se — CID 10333274

IUPACpent-4-en-2-yl phenylselanylformate
SMILESC=CCC(C)OC(=O)[Se]c1ccccc1
InChIInChI=1S/C12H14O2Se/c1-3-7-10(2)14-12(13)15-11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3
InChIKeyHSTVJZRRCUFWHX-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.12
Rot. Bonds5

About pent-4-en-2-yl phenylselanylformate

pent-4-en-2-yl phenylselanylformate (PubChem CID 10333274) has the molecular formula C12H14O2Se and a molecular weight of 269.20 g/mol. Its IUPAC name is pent-4-en-2-yl phenylselanylformate.

Molecular Properties

Compound Namepent-4-en-2-yl phenylselanylformate
PubChem CID10333274
Molecular FormulaC12H14O2Se
Molecular Weight269.20 g/mol
Exact Mass270.02
IUPAC Namepent-4-en-2-yl phenylselanylformate
SMILESC=CCC(C)OC(=O)[Se]c1ccccc1
InChIInChI=1S/C12H14O2Se/c1-3-7-10(2)14-12(13)15-11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3
InChIKeyHSTVJZRRCUFWHX-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-yl phenylselanylformate?
The IUPAC name of pent-4-en-2-yl phenylselanylformate (CID 10333274) is pent-4-en-2-yl phenylselanylformate.
What is the SMILES notation for pent-4-en-2-yl phenylselanylformate?
The canonical SMILES for pent-4-en-2-yl phenylselanylformate is C=CCC(C)OC(=O)[Se]c1ccccc1.
What is the InChIKey of pent-4-en-2-yl phenylselanylformate?
The InChIKey is HSTVJZRRCUFWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2Se/c1-3-7-10(2)14-12(13)15-11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3.
What are the key properties of pent-4-en-2-yl phenylselanylformate?
pent-4-en-2-yl phenylselanylformate has a molecular weight of 269.20 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-en-2-yl phenylselanylformate is sourced from PubChem (CID 10333274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).