6,6-dimethyl-2,5-dihydroselenopyran

C7H12Se — CID 101002388

IUPAC6,6-dimethyl-2,5-dihydroselenopyran
SMILESCC1(C)CC=CC[Se]1
InChIInChI=1S/C7H12Se/c1-7(2)5-3-4-6-8-7/h3-4H,5-6H2,1-2H3
InChIKeyXDKISYHEOPBAGT-UHFFFAOYSA-N
MW175.13 g/mol
LogP2.27
Rot. Bonds

About 6,6-dimethyl-2,5-dihydroselenopyran

6,6-dimethyl-2,5-dihydroselenopyran (PubChem CID 101002388) has the molecular formula C7H12Se and a molecular weight of 175.13 g/mol. Its IUPAC name is 6,6-dimethyl-2,5-dihydroselenopyran.

Molecular Properties

Compound Name6,6-dimethyl-2,5-dihydroselenopyran
PubChem CID101002388
Molecular FormulaC7H12Se
Molecular Weight175.13 g/mol
Exact Mass176.01
IUPAC Name6,6-dimethyl-2,5-dihydroselenopyran
SMILESCC1(C)CC=CC[Se]1
InChIInChI=1S/C7H12Se/c1-7(2)5-3-4-6-8-7/h3-4H,5-6H2,1-2H3
InChIKeyXDKISYHEOPBAGT-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,5-dihydroselenopyran?
The IUPAC name of 6,6-dimethyl-2,5-dihydroselenopyran (CID 101002388) is 6,6-dimethyl-2,5-dihydroselenopyran.
What is the SMILES notation for 6,6-dimethyl-2,5-dihydroselenopyran?
The canonical SMILES for 6,6-dimethyl-2,5-dihydroselenopyran is CC1(C)CC=CC[Se]1.
What is the InChIKey of 6,6-dimethyl-2,5-dihydroselenopyran?
The InChIKey is XDKISYHEOPBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Se/c1-7(2)5-3-4-6-8-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,5-dihydroselenopyran?
6,6-dimethyl-2,5-dihydroselenopyran has a molecular weight of 175.13 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,5-dihydroselenopyran is sourced from PubChem (CID 101002388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).