5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone

C12H18O2S2Se3 — CID 10896317

IUPAC5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone
SMILESCC[Se]c1sc(=[Se])[se]c1SCCOC1CCCCO1
InChIInChI=1S/C12H18O2S2Se3/c1-2-18-11-10(19-12(17)16-11)15-8-7-14-9-5-3-4-6-13-9/h9H,2-8H2,1H3
InChIKeyLCQQFIMUDAPBSH-UHFFFAOYSA-N
MW495.29 g/mol
LogP1.91
Rot. Bonds7

About 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone

5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone (PubChem CID 10896317) has the molecular formula C12H18O2S2Se3 and a molecular weight of 495.29 g/mol. Its IUPAC name is 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone.

Molecular Properties

Compound Name5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone
PubChem CID10896317
Molecular FormulaC12H18O2S2Se3
Molecular Weight495.29 g/mol
Exact Mass497.82
IUPAC Name5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone
SMILESCC[Se]c1sc(=[Se])[se]c1SCCOC1CCCCO1
InChIInChI=1S/C12H18O2S2Se3/c1-2-18-11-10(19-12(17)16-11)15-8-7-14-9-5-3-4-6-13-9/h9H,2-8H2,1H3
InChIKeyLCQQFIMUDAPBSH-UHFFFAOYSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone?
The IUPAC name of 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone (CID 10896317) is 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone.
What is the SMILES notation for 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone?
The canonical SMILES for 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone is CC[Se]c1sc(=[Se])[se]c1SCCOC1CCCCO1.
What is the InChIKey of 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone?
The InChIKey is LCQQFIMUDAPBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S2Se3/c1-2-18-11-10(19-12(17)16-11)15-8-7-14-9-5-3-4-6-13-9/h9H,2-8H2,1H3.
What are the key properties of 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone?
5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone has a molecular weight of 495.29 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylselanyl-4-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenole-2-selone is sourced from PubChem (CID 10896317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).