5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one

C20H24O4 — CID 71588362

IUPAC5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one
SMILESC=CC(C)(C)C1C2=C(C=CC(C)(C)O2)C(OC)=C2C=CC(=O)OC21
InChIInChI=1S/C20H24O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11,15,17H,1H2,2-6H3
InChIKeyUQNRUUXBHDRMLJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.83
Rot. Bonds3

About 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one

5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one (PubChem CID 71588362) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one
PubChem CID71588362
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one
SMILESC=CC(C)(C)C1C2=C(C=CC(C)(C)O2)C(OC)=C2C=CC(=O)OC21
InChIInChI=1S/C20H24O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11,15,17H,1H2,2-6H3
InChIKeyUQNRUUXBHDRMLJ-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one?
The IUPAC name of 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one (CID 71588362) is 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one?
The canonical SMILES for 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one is C=CC(C)(C)C1C2=C(C=CC(C)(C)O2)C(OC)=C2C=CC(=O)OC21.
What is the InChIKey of 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one?
The InChIKey is UQNRUUXBHDRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11,15,17H,1H2,2-6H3.
What are the key properties of 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one?
5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one has a molecular weight of 328.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one is sourced from PubChem (CID 71588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).