7,7-dimethoxy-2,2-dimethyl-8H-chromene

C13H18O3 — CID 91566289

IUPAC7,7-dimethoxy-2,2-dimethyl-8H-chromene
SMILESCOC1(OC)C=CC2=C(C1)OC(C)(C)C=C2
InChIInChI=1S/C13H18O3/c1-12(2)7-5-10-6-8-13(14-3,15-4)9-11(10)16-12/h5-8H,9H2,1-4H3
InChIKeyLQTUCAROPSMYIM-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.55
Rot. Bonds2

About 7,7-dimethoxy-2,2-dimethyl-8H-chromene

7,7-dimethoxy-2,2-dimethyl-8H-chromene (PubChem CID 91566289) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 7,7-dimethoxy-2,2-dimethyl-8H-chromene.

Molecular Properties

Compound Name7,7-dimethoxy-2,2-dimethyl-8H-chromene
PubChem CID91566289
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name7,7-dimethoxy-2,2-dimethyl-8H-chromene
SMILESCOC1(OC)C=CC2=C(C1)OC(C)(C)C=C2
InChIInChI=1S/C13H18O3/c1-12(2)7-5-10-6-8-13(14-3,15-4)9-11(10)16-12/h5-8H,9H2,1-4H3
InChIKeyLQTUCAROPSMYIM-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethoxy-2,2-dimethyl-8H-chromene?
The IUPAC name of 7,7-dimethoxy-2,2-dimethyl-8H-chromene (CID 91566289) is 7,7-dimethoxy-2,2-dimethyl-8H-chromene.
What is the SMILES notation for 7,7-dimethoxy-2,2-dimethyl-8H-chromene?
The canonical SMILES for 7,7-dimethoxy-2,2-dimethyl-8H-chromene is COC1(OC)C=CC2=C(C1)OC(C)(C)C=C2.
What is the InChIKey of 7,7-dimethoxy-2,2-dimethyl-8H-chromene?
The InChIKey is LQTUCAROPSMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-12(2)7-5-10-6-8-13(14-3,15-4)9-11(10)16-12/h5-8H,9H2,1-4H3.
What are the key properties of 7,7-dimethoxy-2,2-dimethyl-8H-chromene?
7,7-dimethoxy-2,2-dimethyl-8H-chromene has a molecular weight of 222.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethoxy-2,2-dimethyl-8H-chromene is sourced from PubChem (CID 91566289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).