6-ethenyl-2,2-dimethylchromene

C13H14O — CID 56672574

IUPAC6-ethenyl-2,2-dimethylchromene
SMILESC=Cc1ccc2c(c1)C=CC(C)(C)O2
InChIInChI=1S/C13H14O/c1-4-10-5-6-12-11(9-10)7-8-13(2,3)14-12/h4-9H,1H2,2-3H3
InChIKeyIGPYBWWHHSNJDY-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.51
Rot. Bonds1

About 6-ethenyl-2,2-dimethylchromene

6-ethenyl-2,2-dimethylchromene (PubChem CID 56672574) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-ethenyl-2,2-dimethylchromene.

Molecular Properties

Compound Name6-ethenyl-2,2-dimethylchromene
PubChem CID56672574
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name6-ethenyl-2,2-dimethylchromene
SMILESC=Cc1ccc2c(c1)C=CC(C)(C)O2
InChIInChI=1S/C13H14O/c1-4-10-5-6-12-11(9-10)7-8-13(2,3)14-12/h4-9H,1H2,2-3H3
InChIKeyIGPYBWWHHSNJDY-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,2-dimethylchromene?
The IUPAC name of 6-ethenyl-2,2-dimethylchromene (CID 56672574) is 6-ethenyl-2,2-dimethylchromene.
What is the SMILES notation for 6-ethenyl-2,2-dimethylchromene?
The canonical SMILES for 6-ethenyl-2,2-dimethylchromene is C=Cc1ccc2c(c1)C=CC(C)(C)O2.
What is the InChIKey of 6-ethenyl-2,2-dimethylchromene?
The InChIKey is IGPYBWWHHSNJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-4-10-5-6-12-11(9-10)7-8-13(2,3)14-12/h4-9H,1H2,2-3H3.
What are the key properties of 6-ethenyl-2,2-dimethylchromene?
6-ethenyl-2,2-dimethylchromene has a molecular weight of 186.25 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,2-dimethylchromene is sourced from PubChem (CID 56672574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).