bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione

C17H20O4 — CID 70486249

IUPACbis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione
SMILESC1=CCC=C1.C1=CCC=C1.CC1COC(=O)C=CC(=O)O1
InChIInChI=1S/C7H8O4.2C5H6/c1-5-4-10-6(8)2-3-7(9)11-5;2*1-2-4-5-3-1/h2-3,5H,4H2,1H3;2*1-4H,5H2
InChIKeyXAFLZHUGRPGBPR-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.04
Rot. Bonds

About bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione

bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione (PubChem CID 70486249) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione
PubChem CID70486249
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namebis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione
SMILESC1=CCC=C1.C1=CCC=C1.CC1COC(=O)C=CC(=O)O1
InChIInChI=1S/C7H8O4.2C5H6/c1-5-4-10-6(8)2-3-7(9)11-5;2*1-2-4-5-3-1/h2-3,5H,4H2,1H3;2*1-4H,5H2
InChIKeyXAFLZHUGRPGBPR-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione?
The IUPAC name of bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione (CID 70486249) is bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione.
What is the SMILES notation for bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione?
The canonical SMILES for bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione is C1=CCC=C1.C1=CCC=C1.CC1COC(=O)C=CC(=O)O1.
What is the InChIKey of bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione?
The InChIKey is XAFLZHUGRPGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4.2C5H6/c1-5-4-10-6(8)2-3-7(9)11-5;2*1-2-4-5-3-1/h2-3,5H,4H2,1H3;2*1-4H,5H2.
What are the key properties of bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione?
bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione has a molecular weight of 288.34 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione is sourced from PubChem (CID 70486249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).