(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate

C24H32O6 — CID 73072231

IUPAC(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate
SMILESCCCCCCCCCC(=O)OC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)C
InChIInChI=1S/C24H32O6/c1-4-5-6-7-8-9-10-11-18(25)29-23-21(27)20-17(30-24(23,2)3)14-12-16-13-15-19(26)28-22(16)20/h12-15,21,23,27H,4-11H2,1-3H3
InChIKeyMVGSSLGEJSXBBZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.05
Rot. Bonds9

About (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate

(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate (PubChem CID 73072231) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate.

Molecular Properties

Compound Name(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate
PubChem CID73072231
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate
SMILESCCCCCCCCCC(=O)OC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)C
InChIInChI=1S/C24H32O6/c1-4-5-6-7-8-9-10-11-18(25)29-23-21(27)20-17(30-24(23,2)3)14-12-16-13-15-19(26)28-22(16)20/h12-15,21,23,27H,4-11H2,1-3H3
InChIKeyMVGSSLGEJSXBBZ-UHFFFAOYSA-N
XLogP5.05
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(9R,10R)-9,10-dimethoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
CID 59973745
[(9R,10S)-8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate
CID 1119130
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 162952553
[(9S,10S)-8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
CID 10342527
[(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
CID 1032882
[(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (2S)-2-methylbutanoate
CID 93473961
[(9R,10S)-8,8-dimethyl-2-oxo-9-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CID 11758601
(4-hydroxy-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) acetate
CID 78385435
(2-oxochromen-7-yl) heptanoate
CID 87647336
(3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl) hexanoate
CID 85158634
[4,6-di(octanoyloxy)-1,3,5-trioxan-2-yl] octanoate
CID 58711194
7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl octadecanoate
CID 69052071

Frequently Asked Questions

What is the IUPAC name of (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate?
The IUPAC name of (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate (CID 73072231) is (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate.
What is the SMILES notation for (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate?
The canonical SMILES for (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate is CCCCCCCCCC(=O)OC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)C.
What is the InChIKey of (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate?
The InChIKey is MVGSSLGEJSXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O6/c1-4-5-6-7-8-9-10-11-18(25)29-23-21(27)20-17(30-24(23,2)3)14-12-16-13-15-19(26)28-22(16)20/h12-15,21,23,27H,4-11H2,1-3H3.
What are the key properties of (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate?
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate has a molecular weight of 416.51 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate is sourced from PubChem (CID 73072231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).