[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate

C26H32O4Se — CID 10917916

IUPAC[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate
SMILESO=C(O[Se](OC(=O)C1CCCCC1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H32O4Se/c27-25(21-13-5-1-6-14-21)29-31(23-17-9-3-10-18-23,24-19-11-4-12-20-24)30-26(28)22-15-7-2-8-16-22/h3-4,9-12,17-22H,1-2,5-8,13-16H2
InChIKeyWSKKKYHUSUGSAH-UHFFFAOYSA-N
MW487.50 g/mol
LogP4.49
Rot. Bonds6

About [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate

[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate (PubChem CID 10917916) has the molecular formula C26H32O4Se and a molecular weight of 487.50 g/mol. Its IUPAC name is [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate
PubChem CID10917916
Molecular FormulaC26H32O4Se
Molecular Weight487.50 g/mol
Exact Mass488.15
IUPAC Name[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate
SMILESO=C(O[Se](OC(=O)C1CCCCC1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H32O4Se/c27-25(21-13-5-1-6-14-21)29-31(23-17-9-3-10-18-23,24-19-11-4-12-20-24)30-26(28)22-15-7-2-8-16-22/h3-4,9-12,17-22H,1-2,5-8,13-16H2
InChIKeyWSKKKYHUSUGSAH-UHFFFAOYSA-N
XLogP4.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 54.49
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 [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate?
The IUPAC name of [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate (CID 10917916) is [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate.
What is the SMILES notation for [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate?
The canonical SMILES for [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate is O=C(O[Se](OC(=O)C1CCCCC1)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate?
The InChIKey is WSKKKYHUSUGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4Se/c27-25(21-13-5-1-6-14-21)29-31(23-17-9-3-10-18-23,24-19-11-4-12-20-24)30-26(28)22-15-7-2-8-16-22/h3-4,9-12,17-22H,1-2,5-8,13-16H2.
What are the key properties of [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate?
[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate has a molecular weight of 487.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate is sourced from PubChem (CID 10917916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).