(1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione

C11H12O5 — CID 163033657

IUPAC(1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
SMILESC=C1OC(=O)[C@]23[C@H](C)[C@@H](CC(=O)[C@@H]2O)O[C@@H]13
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-MZTPCJLUSA-N
MW224.21 g/mol
LogP-0.22
Rot. Bonds

About (1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione

(1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione (PubChem CID 163033657) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (1R,5R,7R,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,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
PubChem CID163033657
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
SMILESC=C1OC(=O)[C@]23[C@H](C)[C@@H](CC(=O)[C@@H]2O)O[C@@H]13
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-MZTPCJLUSA-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

Analyze (1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione with MolForge

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Related Compounds

Cyclocalopin F
CID 10870109
14-Hydroxy-3,9-dimethyl-12-methylidene-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadecane-6,13-dione
CID 85295949
Massarilactone A
CID 10799243
Spiromassaritone
CID 11117682
Massarilactone F
CID 139586326
V214w
CID 139587007
Massarilactone E
CID 163033658
9,10-Dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
CID 73837028
10-Hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione
CID 85405106
(9S,10R,11S)-9,10-dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
CID 24812600
(1S,5S,7R,9S,10R,11R)-9,10-dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
CID 10263098
(1S,7R,9S,10R,11S)-9,10-dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
CID 21776052

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R,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,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione (CID 163033657) is (1R,5R,7R,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,5R,7R,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,5R,7R,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@]23[C@H](C)[C@@H](CC(=O)[C@@H]2O)O[C@@H]13.
What is the InChIKey of (1R,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione?
The InChIKey is OVBNBTYAVURRMB-MZTPCJLUSA-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,5R,7R,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione?
(1R,5R,7R,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,5R,7R,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 163033657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).