7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione

C25H28O4 — CID 75068926

IUPAC7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
SMILESCC1=CC2(C)C=C(C)C(C)CC23OC(=O)C(=C2C=CC(=CCCC=C1)CO2)C3=O
InChIInChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3
InChIKeyHFHJEHWFJWGNEW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.91
Rot. Bonds

About 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione

7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione (PubChem CID 75068926) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione.

Molecular Properties

Compound Name7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
PubChem CID75068926
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
SMILESCC1=CC2(C)C=C(C)C(C)CC23OC(=O)C(=C2C=CC(=CCCC=C1)CO2)C3=O
InChIInChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3
InChIKeyHFHJEHWFJWGNEW-UHFFFAOYSA-N
XLogP4.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6aR,9R,9aR)-9-acetyl-3-((1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl)-6a-methyl-9,9a-dihydrofuro(2,3-h)isochromene-6,8-dione
CID 6451074
Monascorubrin
CID 12118084
Monascin
CID 12118082
Rubropunctatin
CID 6452445
Spirohexenolide A
CID 44557441
Ankaflavin
CID 49834044
(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-((E)-prop-1-en-1-yl)-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione
CID 15294091
(6aR)-9-dodecanoyl-3,6a-dimethylfuro[2,3-h]isochromene-6,8-dione
CID 162888840
(6aR)-3,6a-dimethyl-9-[(2R)-2-methyldodecanoyl]furo[2,3-h]isochromene-6,8-dione
CID 168295244
Chermesinone B
CID 53355010
6a-Methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
CID 163019291
Deflectin 1b
CID 49864149

Frequently Asked Questions

What is the IUPAC name of 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione?
The IUPAC name of 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione (CID 75068926) is 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione.
What is the SMILES notation for 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione?
The canonical SMILES for 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione is CC1=CC2(C)C=C(C)C(C)CC23OC(=O)C(=C2C=CC(=CCCC=C1)CO2)C3=O.
What is the InChIKey of 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione?
The InChIKey is HFHJEHWFJWGNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3.
What are the key properties of 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione?
7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione has a molecular weight of 392.50 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione is sourced from PubChem (CID 75068926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).