(9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate

C20H22O8 — CID 162804932

IUPAC(9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate
SMILESCOc1cc2c(c3oc(C)cc(=O)c13)C(OC(C)=O)C(OC(C)=O)C(C)(C)O2
InChIInChI=1S/C20H22O8/c1-9-7-12(23)15-13(24-6)8-14-16(17(15)25-9)18(26-10(2)21)19(27-11(3)22)20(4,5)28-14/h7-8,18-19H,1-6H3
InChIKeyHIHYKIOZPNTJQD-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.82
Rot. Bonds3

About (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate

(9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate (PubChem CID 162804932) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate.

Molecular Properties

Compound Name(9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate
PubChem CID162804932
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name(9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate
SMILESCOc1cc2c(c3oc(C)cc(=O)c13)C(OC(C)=O)C(OC(C)=O)C(C)(C)O2
InChIInChI=1S/C20H22O8/c1-9-7-12(23)15-13(24-6)8-14-16(17(15)25-9)18(26-10(2)21)19(27-11(3)22)20(4,5)28-14/h7-8,18-19H,1-6H3
InChIKeyHIHYKIOZPNTJQD-UHFFFAOYSA-N
XLogP2.82
TPSA101.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 932
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CID 5280441
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CID 107935
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CID 162350
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CID 442813
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CID 480764
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CID 10337211
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Frequently Asked Questions

What is the IUPAC name of (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate?
The IUPAC name of (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate (CID 162804932) is (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate.
What is the SMILES notation for (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate?
The canonical SMILES for (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate is COc1cc2c(c3oc(C)cc(=O)c13)C(OC(C)=O)C(OC(C)=O)C(C)(C)O2.
What is the InChIKey of (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate?
The InChIKey is HIHYKIOZPNTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O8/c1-9-7-12(23)15-13(24-6)8-14-16(17(15)25-9)18(26-10(2)21)19(27-11(3)22)20(4,5)28-14/h7-8,18-19H,1-6H3.
What are the key properties of (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate?
(9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate has a molecular weight of 390.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-acetyloxy-5-methoxy-2,8,8-trimethyl-4-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl) acetate is sourced from PubChem (CID 162804932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).