CID 11072062

C11H12OSe2 — CID 11072062

IUPAC—
SMILESCCO/C=C(/[Se])C([Se])c1ccccc1
InChIInChI=1S/C11H12OSe2/c1-2-12-8-10(13)11(14)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3/b10-8+
InChIKeyQQJREQOENBGUTH-CSKARUKUSA-N
MW318.14 g/mol
LogP1.94
Rot. Bonds4

About CID 11072062

CID 11072062 (PubChem CID 11072062) has the molecular formula C11H12OSe2 and a molecular weight of 318.14 g/mol.

Molecular Properties

Compound NameCID 11072062
PubChem CID11072062
Molecular FormulaC11H12OSe2
Molecular Weight318.14 g/mol
Exact Mass319.92
IUPAC Name—
SMILESCCO/C=C(/[Se])C([Se])c1ccccc1
InChIInChI=1S/C11H12OSe2/c1-2-12-8-10(13)11(14)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3/b10-8+
InChIKeyQQJREQOENBGUTH-CSKARUKUSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 11127111
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CID 24856463
(2R)-2-ethoxy-2-phenylethanol
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dibenzyl 2-(ethoxymethylidene)propanedioate
CID 70388369
(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dien-1-amine
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benzyl 3-ethoxy-2-methylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 11072062?
The IUPAC name of CID 11072062 (CID 11072062) is not available.
What is the SMILES notation for CID 11072062?
The canonical SMILES for CID 11072062 is CCO/C=C(/[Se])C([Se])c1ccccc1.
What is the InChIKey of CID 11072062?
The InChIKey is QQJREQOENBGUTH-CSKARUKUSA-N. The full InChI is InChI=1S/C11H12OSe2/c1-2-12-8-10(13)11(14)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3/b10-8+.
What are the key properties of CID 11072062?
CID 11072062 has a molecular weight of 318.14 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11072062 is sourced from PubChem (CID 11072062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).