7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone

C24H24O4 — CID 101066714

IUPAC7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone
SMILESC=C1CC2=C(CC(=C)CC3=C(C1)C(=O)C(C)=C(C)C3=O)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C24H24O4/c1-11-7-17-19(23(27)15(5)13(3)21(17)25)9-12(2)10-20-18(8-11)22(26)14(4)16(6)24(20)28/h1-2,7-10H2,3-6H3
InChIKeyXKDXQMHYEHLWQO-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.24
Rot. Bonds

About 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone

7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone (PubChem CID 101066714) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone.

Molecular Properties

Compound Name7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone
PubChem CID101066714
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone
SMILESC=C1CC2=C(CC(=C)CC3=C(C1)C(=O)C(C)=C(C)C3=O)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C24H24O4/c1-11-7-17-19(23(27)15(5)13(3)21(17)25)9-12(2)10-20-18(8-11)22(26)14(4)16(6)24(20)28/h1-2,7-10H2,3-6H3
InChIKeyXKDXQMHYEHLWQO-UHFFFAOYSA-N
XLogP4.24
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7,8,16,17,25,26,34,35-octamethyl-3,12,21,30-tetramethylidenepentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(32),5(10),7,14(19),16,23(28),25,34-octaene-6,9,15,18,24,27,33,36-octone
CID 101066716
2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;3,4,5,6-tetramethylcyclohexa-3,5-diene-1,2-dione
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2,3,4-trimethyl-6-methylidenecyclohexa-2,4-dien-1-one
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(1Z,5Z)-cycloocta-1,5-diene;nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
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CID 20600458
ethanol;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
CID 146417623
2,2,5,6-tetramethyl-3H-1-benzofuran-4,7-dione
CID 10954716
2,3,4,5-tetramethyl-6-(2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-one
CID 158172094
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CID 169248662
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Frequently Asked Questions

What is the IUPAC name of 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone?
The IUPAC name of 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone (CID 101066714) is 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone.
What is the SMILES notation for 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone?
The canonical SMILES for 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone is C=C1CC2=C(CC(=C)CC3=C(C1)C(=O)C(C)=C(C)C3=O)C(=O)C(C)=C(C)C2=O.
What is the InChIKey of 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone?
The InChIKey is XKDXQMHYEHLWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-11-7-17-19(23(27)15(5)13(3)21(17)25)9-12(2)10-20-18(8-11)22(26)14(4)16(6)24(20)28/h1-2,7-10H2,3-6H3.
What are the key properties of 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone?
7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone has a molecular weight of 376.45 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone is sourced from PubChem (CID 101066714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).