12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione

C15H24O5 — CID 162862325

IUPAC12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione
SMILESCOC1CC(=O)C2CCCCC(C)OC(=O)CC2C1O
InChIInChI=1S/C15H24O5/c1-9-5-3-4-6-10-11(7-14(17)20-9)15(18)13(19-2)8-12(10)16/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyHUDJNBASTKAXFK-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.46
Rot. Bonds1

About 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione

12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione (PubChem CID 162862325) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione.

Molecular Properties

Compound Name12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione
PubChem CID162862325
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione
SMILESCOC1CC(=O)C2CCCCC(C)OC(=O)CC2C1O
InChIInChI=1S/C15H24O5/c1-9-5-3-4-6-10-11(7-14(17)20-9)15(18)13(19-2)8-12(10)16/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyHUDJNBASTKAXFK-UHFFFAOYSA-N
XLogP1.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione?
The IUPAC name of 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione (CID 162862325) is 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione.
What is the SMILES notation for 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione?
The canonical SMILES for 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione is COC1CC(=O)C2CCCCC(C)OC(=O)CC2C1O.
What is the InChIKey of 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione?
The InChIKey is HUDJNBASTKAXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-9-5-3-4-6-10-11(7-14(17)20-9)15(18)13(19-2)8-12(10)16/h9-11,13,15,18H,3-8H2,1-2H3.
What are the key properties of 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione?
12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione has a molecular weight of 284.35 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione is sourced from PubChem (CID 162862325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).