(6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione

C15H16O4 — CID 10801302

IUPAC(6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione
SMILESCc1coc2c1C(=O)C1=C(OC[C@@H](C(C)C)C1)C2=O
InChIInChI=1S/C15H16O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h5,7,9H,4,6H2,1-3H3/t9-/m0/s1
InChIKeySXLMNABKMWMBRO-VIFPVBQESA-N
MW260.29 g/mol
LogP2.91
Rot. Bonds1

About (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione

(6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione (PubChem CID 10801302) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione.

Molecular Properties

Compound Name(6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione
PubChem CID10801302
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione
SMILESCc1coc2c1C(=O)C1=C(OC[C@@H](C(C)C)C1)C2=O
InChIInChI=1S/C15H16O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h5,7,9H,4,6H2,1-3H3/t9-/m0/s1
InChIKeySXLMNABKMWMBRO-VIFPVBQESA-N
XLogP2.91
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione?
The IUPAC name of (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione (CID 10801302) is (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione.
What is the SMILES notation for (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione?
The canonical SMILES for (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione is Cc1coc2c1C(=O)C1=C(OC[C@@H](C(C)C)C1)C2=O.
What is the InChIKey of (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione?
The InChIKey is SXLMNABKMWMBRO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h5,7,9H,4,6H2,1-3H3/t9-/m0/s1.
What are the key properties of (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione?
(6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione has a molecular weight of 260.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-6-propan-2-yl-6,7-dihydro-5H-furo[3,2-g]chromene-4,9-dione is sourced from PubChem (CID 10801302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).