(3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione

C11H14O3 — CID 5373154

IUPAC(3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione
SMILESC/C1=C(\C)C(=O)OC(=O)/C(C)=C(/C)C1
InChIInChI=1S/C11H14O3/c1-6-5-7(2)9(4)11(13)14-10(12)8(6)3/h5H2,1-4H3/b8-6-,9-7-
InChIKeyDHEZSFLTSGDTON-VRHVFUOLSA-N
MW194.23 g/mol
LogP2.13
Rot. Bonds

About (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione

(3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione (PubChem CID 5373154) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione.

Molecular Properties

Compound Name(3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione
PubChem CID5373154
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione
SMILESC/C1=C(\C)C(=O)OC(=O)/C(C)=C(/C)C1
InChIInChI=1S/C11H14O3/c1-6-5-7(2)9(4)11(13)14-10(12)8(6)3/h5H2,1-4H3/b8-6-,9-7-
InChIKeyDHEZSFLTSGDTON-VRHVFUOLSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione?
The IUPAC name of (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione (CID 5373154) is (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione.
What is the SMILES notation for (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione?
The canonical SMILES for (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione is C/C1=C(\C)C(=O)OC(=O)/C(C)=C(/C)C1.
What is the InChIKey of (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione?
The InChIKey is DHEZSFLTSGDTON-VRHVFUOLSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-5-7(2)9(4)11(13)14-10(12)8(6)3/h5H2,1-4H3/b8-6-,9-7-.
What are the key properties of (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione?
(3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione has a molecular weight of 194.23 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3,4,6,7-tetramethyl-5H-oxocine-2,8-dione is sourced from PubChem (CID 5373154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).