5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one

C20H24O5 — CID 70127033

IUPAC5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c1C1=C(C=CC(C)(C)O1)C(O)C2C(=O)CC
InChIInChI=1S/C20H24O5/c1-5-7-11-10-14(22)24-19-15(11)18-12(8-9-20(3,4)25-18)17(23)16(19)13(21)6-2/h8-10,16-17,23H,5-7H2,1-4H3
InChIKeyVIBLCOAWESWSDN-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.11
Rot. Bonds4

About 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one

5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one (PubChem CID 70127033) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one
PubChem CID70127033
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c1C1=C(C=CC(C)(C)O1)C(O)C2C(=O)CC
InChIInChI=1S/C20H24O5/c1-5-7-11-10-14(22)24-19-15(11)18-12(8-9-20(3,4)25-18)17(23)16(19)13(21)6-2/h8-10,16-17,23H,5-7H2,1-4H3
InChIKeyVIBLCOAWESWSDN-UHFFFAOYSA-N
XLogP3.11
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one?
The IUPAC name of 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one (CID 70127033) is 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one.
What is the SMILES notation for 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one?
The canonical SMILES for 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one is CCCc1cc(=O)oc2c1C1=C(C=CC(C)(C)O1)C(O)C2C(=O)CC.
What is the InChIKey of 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one?
The InChIKey is VIBLCOAWESWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-5-7-11-10-14(22)24-19-15(11)18-12(8-9-20(3,4)25-18)17(23)16(19)13(21)6-2/h8-10,16-17,23H,5-7H2,1-4H3.
What are the key properties of 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one?
5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one has a molecular weight of 344.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-5,6-dihydropyrano[2,3-f]chromen-8-one is sourced from PubChem (CID 70127033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).