3-undec-10-enoylchromene-2,4-dione

C20H24O4 — CID 11232709

IUPAC3-undec-10-enoylchromene-2,4-dione
SMILESC=CCCCCCCCCC(=O)C1C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C20H24O4/c1-2-3-4-5-6-7-8-9-13-16(21)18-19(22)15-12-10-11-14-17(15)24-20(18)23/h2,10-12,14,18H,1,3-9,13H2
InChIKeySRZJOICOPOXSEC-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds10

About 3-undec-10-enoylchromene-2,4-dione

3-undec-10-enoylchromene-2,4-dione (PubChem CID 11232709) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-undec-10-enoylchromene-2,4-dione.

Molecular Properties

Compound Name3-undec-10-enoylchromene-2,4-dione
PubChem CID11232709
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-undec-10-enoylchromene-2,4-dione
SMILESC=CCCCCCCCCC(=O)C1C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C20H24O4/c1-2-3-4-5-6-7-8-9-13-16(21)18-19(22)15-12-10-11-14-17(15)24-20(18)23/h2,10-12,14,18H,1,3-9,13H2
InChIKeySRZJOICOPOXSEC-UHFFFAOYSA-N
XLogP4.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-undec-10-enoylchromene-2,4-dione?
The IUPAC name of 3-undec-10-enoylchromene-2,4-dione (CID 11232709) is 3-undec-10-enoylchromene-2,4-dione.
What is the SMILES notation for 3-undec-10-enoylchromene-2,4-dione?
The canonical SMILES for 3-undec-10-enoylchromene-2,4-dione is C=CCCCCCCCCC(=O)C1C(=O)Oc2ccccc2C1=O.
What is the InChIKey of 3-undec-10-enoylchromene-2,4-dione?
The InChIKey is SRZJOICOPOXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-2-3-4-5-6-7-8-9-13-16(21)18-19(22)15-12-10-11-14-17(15)24-20(18)23/h2,10-12,14,18H,1,3-9,13H2.
What are the key properties of 3-undec-10-enoylchromene-2,4-dione?
3-undec-10-enoylchromene-2,4-dione has a molecular weight of 328.41 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-10-enoylchromene-2,4-dione is sourced from PubChem (CID 11232709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).