12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione

C19H18O4 — CID 11438304

IUPAC12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione
SMILESCC(C)c1cc2c(=O)cc3c(cc2c(=O)o1)C=CC(=O)C3(C)C
InChIInChI=1S/C19H18O4/c1-10(2)16-8-12-13(18(22)23-16)7-11-5-6-17(21)19(3,4)14(11)9-15(12)20/h5-10H,1-4H3
InChIKeyOCLGUJIAXLMPLM-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.15
Rot. Bonds1

About 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione

12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione (PubChem CID 11438304) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione.

Molecular Properties

Compound Name12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione
PubChem CID11438304
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione
SMILESCC(C)c1cc2c(=O)cc3c(cc2c(=O)o1)C=CC(=O)C3(C)C
InChIInChI=1S/C19H18O4/c1-10(2)16-8-12-13(18(22)23-16)7-11-5-6-17(21)19(3,4)14(11)9-15(12)20/h5-10H,1-4H3
InChIKeyOCLGUJIAXLMPLM-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione?
The IUPAC name of 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione (CID 11438304) is 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione.
What is the SMILES notation for 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione?
The canonical SMILES for 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione is CC(C)c1cc2c(=O)cc3c(cc2c(=O)o1)C=CC(=O)C3(C)C.
What is the InChIKey of 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione?
The InChIKey is OCLGUJIAXLMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-10(2)16-8-12-13(18(22)23-16)7-11-5-6-17(21)19(3,4)14(11)9-15(12)20/h5-10H,1-4H3.
What are the key properties of 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione?
12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione has a molecular weight of 310.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-6-propan-2-yl-5-oxatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,9,13-trione is sourced from PubChem (CID 11438304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).