3,4-dimethoxyselenophene

C12H16O4Se2 — CID 139038228

IUPAC3,4-dimethoxyselenophene
SMILESCOc1c[se]cc1OC.COc1c[se]cc1OC
InChIInChI=1S/2C6H8O2Se/c2*1-7-5-3-9-4-6(5)8-2/h2*3-4H,1-2H3
InChIKeyDKDKVAMAMGHJLO-UHFFFAOYSA-N
MW382.18 g/mol
LogP1.52
Rot. Bonds4

About 3,4-dimethoxyselenophene

3,4-dimethoxyselenophene (PubChem CID 139038228) has the molecular formula C12H16O4Se2 and a molecular weight of 382.18 g/mol. Its IUPAC name is 3,4-dimethoxyselenophene.

Molecular Properties

Compound Name3,4-dimethoxyselenophene
PubChem CID139038228
Molecular FormulaC12H16O4Se2
Molecular Weight382.18 g/mol
Exact Mass383.94
IUPAC Name3,4-dimethoxyselenophene
SMILESCOc1c[se]cc1OC.COc1c[se]cc1OC
InChIInChI=1S/2C6H8O2Se/c2*1-7-5-3-9-4-6(5)8-2/h2*3-4H,1-2H3
InChIKeyDKDKVAMAMGHJLO-UHFFFAOYSA-N
XLogP1.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 177477117
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
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ethane;1-methoxy-2,4,5-trimethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxyselenophene?
The IUPAC name of 3,4-dimethoxyselenophene (CID 139038228) is 3,4-dimethoxyselenophene.
What is the SMILES notation for 3,4-dimethoxyselenophene?
The canonical SMILES for 3,4-dimethoxyselenophene is COc1c[se]cc1OC.COc1c[se]cc1OC.
What is the InChIKey of 3,4-dimethoxyselenophene?
The InChIKey is DKDKVAMAMGHJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O2Se/c2*1-7-5-3-9-4-6(5)8-2/h2*3-4H,1-2H3.
What are the key properties of 3,4-dimethoxyselenophene?
3,4-dimethoxyselenophene has a molecular weight of 382.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxyselenophene is sourced from PubChem (CID 139038228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).