(1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione

C11H12O5 — CID 163185273

IUPAC(1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
SMILESC=C1OC(=O)[C@@]23C1OC(CC(=O)[C@@H]2O)[C@H]3C
InChIInChI=1S/C11H12O5/c1-4-7-3-6(12)8(13)11(4)9(16-7)5(2)15-10(11)14/h4,7-9,13H,2-3H2,1H3/t4-,7?,8+,9?,11-/m1/s1
InChIKeyOVBNBTYAVURRMB-NBXXBMOKSA-N
MW224.21 g/mol
LogP-0.22
Rot. Bonds

About (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione

(1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione (PubChem CID 163185273) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione.

Molecular Properties

Compound Name(1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
PubChem CID163185273
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
SMILESC=C1OC(=O)[C@@]23C1OC(CC(=O)[C@@H]2O)[C@H]3C
InChIInChI=1S/C11H12O5/c1-4-7-3-6(12)8(13)11(4)9(16-7)5(2)15-10(11)14/h4,7-9,13H,2-3H2,1H3/t4-,7?,8+,9?,11-/m1/s1
InChIKeyOVBNBTYAVURRMB-NBXXBMOKSA-N
XLogP-0.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione?
The IUPAC name of (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione (CID 163185273) is (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione.
What is the SMILES notation for (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione?
The canonical SMILES for (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione is C=C1OC(=O)[C@@]23C1OC(CC(=O)[C@@H]2O)[C@H]3C.
What is the InChIKey of (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione?
The InChIKey is OVBNBTYAVURRMB-NBXXBMOKSA-N. The full InChI is InChI=1S/C11H12O5/c1-4-7-3-6(12)8(13)11(4)9(16-7)5(2)15-10(11)14/h4,7-9,13H,2-3H2,1H3/t4-,7?,8+,9?,11-/m1/s1.
What are the key properties of (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione?
(1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione has a molecular weight of 224.21 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione is sourced from PubChem (CID 163185273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).