(2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate

C22H28O5 — CID 70127415

IUPAC(2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate
SMILESCCCc1cc(=O)oc2c1C1=C(C=CC(C)(C)O1)C(OC(=O)C(C)(C)C)C2
InChIInChI=1S/C22H28O5/c1-7-8-13-11-17(23)25-16-12-15(26-20(24)21(2,3)4)14-9-10-22(5,6)27-19(14)18(13)16/h9-11,15H,7-8,12H2,1-6H3
InChIKeyQXZCAIVXNZBOLT-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.18
Rot. Bonds3

About (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate

(2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate (PubChem CID 70127415) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate
PubChem CID70127415
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name(2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate
SMILESCCCc1cc(=O)oc2c1C1=C(C=CC(C)(C)O1)C(OC(=O)C(C)(C)C)C2
InChIInChI=1S/C22H28O5/c1-7-8-13-11-17(23)25-16-12-15(26-20(24)21(2,3)4)14-9-10-22(5,6)27-19(14)18(13)16/h9-11,15H,7-8,12H2,1-6H3
InChIKeyQXZCAIVXNZBOLT-UHFFFAOYSA-N
XLogP4.18
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate (CID 70127415) is (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate is CCCc1cc(=O)oc2c1C1=C(C=CC(C)(C)O1)C(OC(=O)C(C)(C)C)C2.
What is the InChIKey of (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate?
The InChIKey is QXZCAIVXNZBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5/c1-7-8-13-11-17(23)25-16-12-15(26-20(24)21(2,3)4)14-9-10-22(5,6)27-19(14)18(13)16/h9-11,15H,7-8,12H2,1-6H3.
What are the key properties of (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate?
(2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate has a molecular weight of 372.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-8-oxo-10-propyl-5,6-dihydropyrano[2,3-h]chromen-5-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 70127415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).