2,3-di(propan-2-yl)selenophene

C10H16Se — CID 140695830

IUPAC2,3-di(propan-2-yl)selenophene
SMILESCC(C)c1cc[se]c1C(C)C
InChIInChI=1S/C10H16Se/c1-7(2)9-5-6-11-10(9)8(3)4/h5-8H,1-4H3
InChIKeyMNDYTIWKYSBCRC-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.99
Rot. Bonds2

About 2,3-di(propan-2-yl)selenophene

2,3-di(propan-2-yl)selenophene (PubChem CID 140695830) has the molecular formula C10H16Se and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)selenophene.

Molecular Properties

Compound Name2,3-di(propan-2-yl)selenophene
PubChem CID140695830
Molecular FormulaC10H16Se
Molecular Weight215.20 g/mol
Exact Mass216.04
IUPAC Name2,3-di(propan-2-yl)selenophene
SMILESCC(C)c1cc[se]c1C(C)C
InChIInChI=1S/C10H16Se/c1-7(2)9-5-6-11-10(9)8(3)4/h5-8H,1-4H3
InChIKeyMNDYTIWKYSBCRC-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,3-di(propan-2-yl)selenophene?
The IUPAC name of 2,3-di(propan-2-yl)selenophene (CID 140695830) is 2,3-di(propan-2-yl)selenophene.
What is the SMILES notation for 2,3-di(propan-2-yl)selenophene?
The canonical SMILES for 2,3-di(propan-2-yl)selenophene is CC(C)c1cc[se]c1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)selenophene?
The InChIKey is MNDYTIWKYSBCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Se/c1-7(2)9-5-6-11-10(9)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)selenophene?
2,3-di(propan-2-yl)selenophene has a molecular weight of 215.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)selenophene is sourced from PubChem (CID 140695830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).