6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione

C20H24O5 — CID 141235989

IUPAC6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione
SMILESCc1cc(C)c2c(c1C)OC(C)OC1CCC3(CC1)OC(=O)C2C3=O
InChIInChI=1S/C20H24O5/c1-10-9-11(2)15-16-18(21)20(25-19(16)22)7-5-14(6-8-20)23-13(4)24-17(15)12(10)3/h9,13-14,16H,5-8H2,1-4H3
InChIKeyAABYWZWTGFWWOP-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.26
Rot. Bonds

About 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione

6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione (PubChem CID 141235989) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione.

Molecular Properties

Compound Name6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione
PubChem CID141235989
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione
SMILESCc1cc(C)c2c(c1C)OC(C)OC1CCC3(CC1)OC(=O)C2C3=O
InChIInChI=1S/C20H24O5/c1-10-9-11(2)15-16-18(21)20(25-19(16)22)7-5-14(6-8-20)23-13(4)24-17(15)12(10)3/h9,13-14,16H,5-8H2,1-4H3
InChIKeyAABYWZWTGFWWOP-UHFFFAOYSA-N
XLogP3.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione with MolForge

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Related Compounds

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10-[3-(4-chlorophenyl)-2,4,6-trimethylphenyl]-4,12-dioxadispiro[4.2.48.25]tetradecane-9,11-dione
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CID 123318438
4,6,7-trimethyl-3-phenyl-3H-1-benzofuran-2-one
CID 68705187
3-[2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]phenyl]-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione
CID 91026722
3'-(4-bromo-5-chloro-2-methylphenyl)spiro[1,2,3,3a,4,5,7,7a-octahydroindene-6,5'-oxolane]-2',4'-dione
CID 91143295
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CID 43536410
10-[5-(4-chlorophenyl)-2-methylphenyl]-4,12-dioxadispiro[4.2.48.25]tetradecane-9,11-dione
CID 53357361
3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91417294
3-[5-(4-chlorophenyl)-2-methylphenyl]-1,9-dioxaspiro[4.5]decane-2,4-dione
CID 53357091
8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 90771899

Frequently Asked Questions

What is the IUPAC name of 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione?
The IUPAC name of 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione (CID 141235989) is 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione.
What is the SMILES notation for 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione?
The canonical SMILES for 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione is Cc1cc(C)c2c(c1C)OC(C)OC1CCC3(CC1)OC(=O)C2C3=O.
What is the InChIKey of 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione?
The InChIKey is AABYWZWTGFWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-10-9-11(2)15-16-18(21)20(25-19(16)22)7-5-14(6-8-20)23-13(4)24-17(15)12(10)3/h9,13-14,16H,5-8H2,1-4H3.
What are the key properties of 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione?
6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione has a molecular weight of 344.41 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione is sourced from PubChem (CID 141235989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).