3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione

C19H22O3 — CID 101243052

IUPAC3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione
SMILESC=CC(C)(C)C1(CC=C(C)C)C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C19H22O3/c1-6-18(4,5)19(12-11-13(2)3)16(20)14-9-7-8-10-15(14)22-17(19)21/h6-11H,1,12H2,2-5H3
InChIKeyHUOZJVYWIVAXKO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.34
Rot. Bonds4

About 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione

3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione (PubChem CID 101243052) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione.

Molecular Properties

Compound Name3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione
PubChem CID101243052
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione
SMILESC=CC(C)(C)C1(CC=C(C)C)C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C19H22O3/c1-6-18(4,5)19(12-11-13(2)3)16(20)14-9-7-8-10-15(14)22-17(19)21/h6-11H,1,12H2,2-5H3
InChIKeyHUOZJVYWIVAXKO-UHFFFAOYSA-N
XLogP4.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7a-methyl-1a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7-dione
CID 46909958
3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione
CID 157185705
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
3-benzyl-3-tert-butylperoxychromene-2,4-dione
CID 154712950
(1aS,7aS)-3-hydroxy-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 57383997
3-tert-butylperoxy-3-[(4-methylphenyl)methyl]chromene-2,4-dione
CID 154712444
3-propylidene-1-benzofuran-2-one
CID 141094787
2,3-ditert-butyl-4H-1,4-benzoxazepin-5-one
CID 58303933
(2Z)-2-propylidene-1,3-benzodioxin-4-one
CID 142022031
2,2-bis(trifluoromethyl)-1-benzofuran-3-one
CID 13384251
3-acetyl-4-but-3-enyl-3-prop-2-enyl-5H-1,4-benzoxazepin-2-one
CID 11289564
12,17,17-trimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
CID 44551530

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione?
The IUPAC name of 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione (CID 101243052) is 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione.
What is the SMILES notation for 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione?
The canonical SMILES for 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione is C=CC(C)(C)C1(CC=C(C)C)C(=O)Oc2ccccc2C1=O.
What is the InChIKey of 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione?
The InChIKey is HUOZJVYWIVAXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-6-18(4,5)19(12-11-13(2)3)16(20)14-9-7-8-10-15(14)22-17(19)21/h6-11H,1,12H2,2-5H3.
What are the key properties of 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione?
3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione has a molecular weight of 298.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione is sourced from PubChem (CID 101243052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).