7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone

C38H48O8 — CID 73059351

IUPAC7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone
SMILESCC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C2C(C)C
InChIInChI=1S/C38H48O8/c1-15(2)18-20-26(40)24(25(39)17(5)6)28-21(27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12)19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28/h15-19,40H,1-14H3
InChIKeyJQOOCQQOCBSNIP-UHFFFAOYSA-N
MW632.79 g/mol
LogP7.41
Rot. Bonds4

About 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone

7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone (PubChem CID 73059351) has the molecular formula C38H48O8 and a molecular weight of 632.79 g/mol. Its IUPAC name is 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone.

Molecular Properties

Compound Name7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone
PubChem CID73059351
Molecular FormulaC38H48O8
Molecular Weight632.79 g/mol
Exact Mass632.33
IUPAC Name7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone
SMILESCC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C2C(C)C
InChIInChI=1S/C38H48O8/c1-15(2)18-20-26(40)24(25(39)17(5)6)28-21(27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12)19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28/h15-19,40H,1-14H3
InChIKeyJQOOCQQOCBSNIP-UHFFFAOYSA-N
XLogP7.41
TPSA124.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.79
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone?
The IUPAC name of 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone (CID 73059351) is 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone.
What is the SMILES notation for 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone?
The canonical SMILES for 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone is CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C2C(C)C.
What is the InChIKey of 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone?
The InChIKey is JQOOCQQOCBSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48O8/c1-15(2)18-20-26(40)24(25(39)17(5)6)28-21(27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12)19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28/h15-19,40H,1-14H3.
What are the key properties of 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone?
7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone has a molecular weight of 632.79 g/mol, XLogP of 7.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone is sourced from PubChem (CID 73059351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).