11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione

C15H8O3 — CID 10728490

IUPAC11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
SMILESCc1cc2oc3ccccc3c2c2c(=O)c(=O)c12
InChIInChI=1S/C15H8O3/c1-7-6-10-12(13-11(7)14(16)15(13)17)8-4-2-3-5-9(8)18-10/h2-6H,1H3
InChIKeyZEMVRYGVXVQAII-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.64
Rot. Bonds

About 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione

11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione (PubChem CID 10728490) has the molecular formula C15H8O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione.

Molecular Properties

Compound Name11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
PubChem CID10728490
Molecular FormulaC15H8O3
Molecular Weight236.23 g/mol
Exact Mass236.05
IUPAC Name11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
SMILESCc1cc2oc3ccccc3c2c2c(=O)c(=O)c12
InChIInChI=1S/C15H8O3/c1-7-6-10-12(13-11(7)14(16)15(13)17)8-4-2-3-5-9(8)18-10/h2-6H,1H3
InChIKeyZEMVRYGVXVQAII-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione with MolForge

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Related Compounds

9,15-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59403826
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
propane;xanthen-9-one
CID 90876458
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran
CID 138662441
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522
1,3-dihydroxyxanthen-9-one
CID 5488193

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione?
The IUPAC name of 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione (CID 10728490) is 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione.
What is the SMILES notation for 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione?
The canonical SMILES for 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione is Cc1cc2oc3ccccc3c2c2c(=O)c(=O)c12.
What is the InChIKey of 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione?
The InChIKey is ZEMVRYGVXVQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O3/c1-7-6-10-12(13-11(7)14(16)15(13)17)8-4-2-3-5-9(8)18-10/h2-6H,1H3.
What are the key properties of 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione?
11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione has a molecular weight of 236.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione is sourced from PubChem (CID 10728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).