5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one

C11H16O5 — CID 75149688

IUPAC5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one
SMILESCOC1OC(=O)C2C3CC(O)C2(C)OCC13
InChIInChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3
InChIKeyNGJFTIGDSFYTPY-UHFFFAOYSA-N
MW228.24 g/mol
LogP-0.08
Rot. Bonds1

About 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one

5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one (PubChem CID 75149688) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one.

Molecular Properties

Compound Name5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one
PubChem CID75149688
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one
SMILESCOC1OC(=O)C2C3CC(O)C2(C)OCC13
InChIInChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3
InChIKeyNGJFTIGDSFYTPY-UHFFFAOYSA-N
XLogP-0.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one?
The IUPAC name of 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one (CID 75149688) is 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one.
What is the SMILES notation for 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one?
The canonical SMILES for 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one is COC1OC(=O)C2C3CC(O)C2(C)OCC13.
What is the InChIKey of 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one?
The InChIKey is NGJFTIGDSFYTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-11-7(12)3-5-6(4-15-11)10(14-2)16-9(13)8(5)11/h5-8,10,12H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one?
5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one has a molecular weight of 228.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-11-methoxy-4-methyl-3,10-dioxatricyclo[5.4.0.04,8]undecan-9-one is sourced from PubChem (CID 75149688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).