(7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione

C15H14O4 — CID 73349181

IUPAC(7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione
SMILESCC(C)=C1Oc2c(ccc3c2C(=O)O[C@H](C)C3)C1=O
InChIInChI=1S/C15H14O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8H,6H2,1-3H3/t8-/m1/s1
InChIKeyJEBVCMMFVQCLIM-MRVPVSSYSA-N
MW258.27 g/mol
LogP2.66
Rot. Bonds

About (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione

(7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione (PubChem CID 73349181) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione.

Molecular Properties

Compound Name(7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione
PubChem CID73349181
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione
SMILESCC(C)=C1Oc2c(ccc3c2C(=O)O[C@H](C)C3)C1=O
InChIInChI=1S/C15H14O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8H,6H2,1-3H3/t8-/m1/s1
InChIKeyJEBVCMMFVQCLIM-MRVPVSSYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione?
The IUPAC name of (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione (CID 73349181) is (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione.
What is the SMILES notation for (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione?
The canonical SMILES for (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione is CC(C)=C1Oc2c(ccc3c2C(=O)O[C@H](C)C3)C1=O.
What is the InChIKey of (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione?
The InChIKey is JEBVCMMFVQCLIM-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8H,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione?
(7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione has a molecular weight of 258.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-2-propan-2-ylidene-6,7-dihydrofuro[3,2-h]isochromene-3,9-dione is sourced from PubChem (CID 73349181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).