(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione

C15H12O5 — CID 2909986

IUPAC(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/O)C1=O
InChIInChI=1S/C15H12O5/c1-15(2)14(18)9(7-16)12-10(20-15)5-3-8-4-6-11(17)19-13(8)12/h3-7,16H,1-2H3/b9-7-
InChIKeyPKZPZORLDZRVPS-CLFYSBASSA-N
MW272.26 g/mol
LogP2.43
Rot. Bonds

About (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione

(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione (PubChem CID 2909986) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione.

Molecular Properties

Compound Name(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione
PubChem CID2909986
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/O)C1=O
InChIInChI=1S/C15H12O5/c1-15(2)14(18)9(7-16)12-10(20-15)5-3-8-4-6-11(17)19-13(8)12/h3-7,16H,1-2H3/b9-7-
InChIKeyPKZPZORLDZRVPS-CLFYSBASSA-N
XLogP2.43
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione?
The IUPAC name of (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione (CID 2909986) is (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione.
What is the SMILES notation for (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione?
The canonical SMILES for (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione is CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/O)C1=O.
What is the InChIKey of (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione?
The InChIKey is PKZPZORLDZRVPS-CLFYSBASSA-N. The full InChI is InChI=1S/C15H12O5/c1-15(2)14(18)9(7-16)12-10(20-15)5-3-8-4-6-11(17)19-13(8)12/h3-7,16H,1-2H3/b9-7-.
What are the key properties of (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione?
(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione has a molecular weight of 272.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione is sourced from PubChem (CID 2909986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).