1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione

C19H23NO4 — CID 666291

IUPAC—
SMILESCc1ccc2c(c1)CC1(CN2C)C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C19H23NO4/c1-13-6-7-15-14(10-13)11-18(12-20(15)2)16(21)23-19(24-17(18)22)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3
InChIKeyWGLRIUQXIGIPDK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.73
Rot. Bonds

About 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione

1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione (PubChem CID 666291) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol.

Molecular Properties

Compound Name1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione
PubChem CID666291
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name—
SMILESCc1ccc2c(c1)CC1(CN2C)C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C19H23NO4/c1-13-6-7-15-14(10-13)11-18(12-20(15)2)16(21)23-19(24-17(18)22)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3
InChIKeyWGLRIUQXIGIPDK-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione?
The IUPAC name of 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione (CID 666291) is not available.
What is the SMILES notation for 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione?
The canonical SMILES for 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione is Cc1ccc2c(c1)CC1(CN2C)C(=O)OC2(CCCCC2)OC1=O.
What is the InChIKey of 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione?
The InChIKey is WGLRIUQXIGIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-6-7-15-14(10-13)11-18(12-20(15)2)16(21)23-19(24-17(18)22)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione?
1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione has a molecular weight of 329.40 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione is sourced from PubChem (CID 666291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).