ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate

C19H16O2Se2 — CID 58121725

IUPACethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)[se]c1c3ccc(CC)cc3[se]c21
InChIInChI=1S/C19H16O2Se2/c1-3-11-5-7-13-15(9-11)22-18-14-8-6-12(19(20)21-4-2)10-16(14)23-17(13)18/h5-10H,3-4H2,1-2H3
InChIKeyUJJUSHZUTDAQQG-UHFFFAOYSA-N
MW434.26 g/mol
LogP4.00
Rot. Bonds3

About ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate

ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate (PubChem CID 58121725) has the molecular formula C19H16O2Se2 and a molecular weight of 434.26 g/mol. Its IUPAC name is ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate
PubChem CID58121725
Molecular FormulaC19H16O2Se2
Molecular Weight434.26 g/mol
Exact Mass435.95
IUPAC Nameethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)[se]c1c3ccc(CC)cc3[se]c21
InChIInChI=1S/C19H16O2Se2/c1-3-11-5-7-13-15(9-11)22-18-14-8-6-12(19(20)21-4-2)10-16(14)23-17(13)18/h5-10H,3-4H2,1-2H3
InChIKeyUJJUSHZUTDAQQG-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate
CID 14976421
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
ethyl 4-chloro-3-ethylsulfanylbenzoate
CID 91876324
ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate?
The IUPAC name of ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate (CID 58121725) is ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate?
The canonical SMILES for ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate is CCOC(=O)c1ccc2c(c1)[se]c1c3ccc(CC)cc3[se]c21.
What is the InChIKey of ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate?
The InChIKey is UJJUSHZUTDAQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2Se2/c1-3-11-5-7-13-15(9-11)22-18-14-8-6-12(19(20)21-4-2)10-16(14)23-17(13)18/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate?
ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate has a molecular weight of 434.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate is sourced from PubChem (CID 58121725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).