[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate

C11H16O6Se — CID 11738808

IUPAC[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate
SMILESCC(=O)OC1[C@H](OC(C)=O)C[Se]C[C@H]1OC(C)=O
InChIInChI=1S/C11H16O6Se/c1-6(12)15-9-4-18-5-10(16-7(2)13)11(9)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10-/m1/s1
InChIKeyQEPBPAYXNORZGR-NXEZZACHSA-N
MW323.20 g/mol
LogP0.34
Rot. Bonds3

About [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate

[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate (PubChem CID 11738808) has the molecular formula C11H16O6Se and a molecular weight of 323.20 g/mol. Its IUPAC name is [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate
PubChem CID11738808
Molecular FormulaC11H16O6Se
Molecular Weight323.20 g/mol
Exact Mass324.01
IUPAC Name[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate
SMILESCC(=O)OC1[C@H](OC(C)=O)C[Se]C[C@H]1OC(C)=O
InChIInChI=1S/C11H16O6Se/c1-6(12)15-9-4-18-5-10(16-7(2)13)11(9)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10-/m1/s1
InChIKeyQEPBPAYXNORZGR-NXEZZACHSA-N
XLogP0.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2R)-2-chlorocyclobutyl] acetate
CID 54233991
[(3S,4S,5S,6S)-4,5,6-triacetyloxythiepan-3-yl] acetate
CID 101100292
[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl] acetate
CID 6994876
(2,3,5-triacetyloxy-5-formyloxycyclohexyl) acetate
CID 87157899
[(1S,2R,3R,4R,5R)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate
CID 170294536
[(3R,4R,5R,6R)-1-acetyl-4,5,6-triacetyloxyazepan-3-yl] acetate
CID 10761870
[(1R,2S,3R,4S,5R)-4,5-diacetyloxy-2,3-dihydroxycyclohexyl] acetate
CID 102213375
2-bicyclo[1.1.1]pentanyl acetate
CID 23270357

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate?
The IUPAC name of [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate (CID 11738808) is [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate.
What is the SMILES notation for [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate?
The canonical SMILES for [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate is CC(=O)OC1[C@H](OC(C)=O)C[Se]C[C@H]1OC(C)=O.
What is the InChIKey of [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate?
The InChIKey is QEPBPAYXNORZGR-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16O6Se/c1-6(12)15-9-4-18-5-10(16-7(2)13)11(9)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate?
[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate has a molecular weight of 323.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate is sourced from PubChem (CID 11738808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).