1-(2-acetyloxypropylselanyl)propan-2-yl acetate

C10H18O4Se — CID 132988773

IUPAC1-(2-acetyloxypropylselanyl)propan-2-yl acetate
SMILESCC(=O)OC(C)C[Se]CC(C)OC(C)=O
InChIInChI=1S/C10H18O4Se/c1-7(13-9(3)11)5-15-6-8(2)14-10(4)12/h7-8H,5-6H2,1-4H3
InChIKeyYLAOBZSBCRGLDP-UHFFFAOYSA-N
MW281.21 g/mol
LogP1.43
Rot. Bonds6

About 1-(2-acetyloxypropylselanyl)propan-2-yl acetate

1-(2-acetyloxypropylselanyl)propan-2-yl acetate (PubChem CID 132988773) has the molecular formula C10H18O4Se and a molecular weight of 281.21 g/mol. Its IUPAC name is 1-(2-acetyloxypropylselanyl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(2-acetyloxypropylselanyl)propan-2-yl acetate
PubChem CID132988773
Molecular FormulaC10H18O4Se
Molecular Weight281.21 g/mol
Exact Mass282.04
IUPAC Name1-(2-acetyloxypropylselanyl)propan-2-yl acetate
SMILESCC(=O)OC(C)C[Se]CC(C)OC(C)=O
InChIInChI=1S/C10H18O4Se/c1-7(13-9(3)11)5-15-6-8(2)14-10(4)12/h7-8H,5-6H2,1-4H3
InChIKeyYLAOBZSBCRGLDP-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyloxypropylselanyl)propan-2-yl acetate?
The IUPAC name of 1-(2-acetyloxypropylselanyl)propan-2-yl acetate (CID 132988773) is 1-(2-acetyloxypropylselanyl)propan-2-yl acetate.
What is the SMILES notation for 1-(2-acetyloxypropylselanyl)propan-2-yl acetate?
The canonical SMILES for 1-(2-acetyloxypropylselanyl)propan-2-yl acetate is CC(=O)OC(C)C[Se]CC(C)OC(C)=O.
What is the InChIKey of 1-(2-acetyloxypropylselanyl)propan-2-yl acetate?
The InChIKey is YLAOBZSBCRGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Se/c1-7(13-9(3)11)5-15-6-8(2)14-10(4)12/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(2-acetyloxypropylselanyl)propan-2-yl acetate?
1-(2-acetyloxypropylselanyl)propan-2-yl acetate has a molecular weight of 281.21 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyloxypropylselanyl)propan-2-yl acetate is sourced from PubChem (CID 132988773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).