15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

C15H12O6 — CID 564275

IUPAC15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
SMILESCC1=CC2C3C(=O)OC(=O)C3C1C1C3C(=O)OC(=O)C3C21
InChIInChI=1S/C15H12O6/c1-3-2-4-6-8(11-10(6)14(18)21-15(11)19)5(3)9-7(4)12(16)20-13(9)17/h2,4-11H,1H3
InChIKeyKLCJBGADIXBIIG-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.07
Rot. Bonds

About 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone (PubChem CID 564275) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone.

Molecular Properties

Compound Name15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
PubChem CID564275
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Name15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
SMILESCC1=CC2C3C(=O)OC(=O)C3C1C1C3C(=O)OC(=O)C3C21
InChIInChI=1S/C15H12O6/c1-3-2-4-6-8(11-10(6)14(18)21-15(11)19)5(3)9-7(4)12(16)20-13(9)17/h2,4-11H,1H3
InChIKeyKLCJBGADIXBIIG-UHFFFAOYSA-N
XLogP0.07
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone?
The IUPAC name of 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone (CID 564275) is 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone.
What is the SMILES notation for 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone?
The canonical SMILES for 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone is CC1=CC2C3C(=O)OC(=O)C3C1C1C3C(=O)OC(=O)C3C21.
What is the InChIKey of 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone?
The InChIKey is KLCJBGADIXBIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-3-2-4-6-8(11-10(6)14(18)21-15(11)19)5(3)9-7(4)12(16)20-13(9)17/h2,4-11H,1H3.
What are the key properties of 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone?
15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone has a molecular weight of 288.26 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-5,12-dioxapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone is sourced from PubChem (CID 564275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).