(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one

C12H18O4 — CID 177461481

IUPAC(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one
SMILESCOC12OC3CCC1(C)C(=O)C[C@@H]2[C@H](O)C3
InChIInChI=1S/C12H18O4/c1-11-4-3-7-5-9(13)8(6-10(11)14)12(11,15-2)16-7/h7-9,13H,3-6H2,1-2H3/t7?,8-,9-,11?,12?/m1/s1
InChIKeyBQZGJUYACMCQTL-HQBVJDEWSA-N
MW226.27 g/mol
LogP0.87
Rot. Bonds1

About (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one

(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one (PubChem CID 177461481) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one.

Molecular Properties

Compound Name(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one
PubChem CID177461481
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one
SMILESCOC12OC3CCC1(C)C(=O)C[C@@H]2[C@H](O)C3
InChIInChI=1S/C12H18O4/c1-11-4-3-7-5-9(13)8(6-10(11)14)12(11,15-2)16-7/h7-9,13H,3-6H2,1-2H3/t7?,8-,9-,11?,12?/m1/s1
InChIKeyBQZGJUYACMCQTL-HQBVJDEWSA-N
XLogP0.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one with MolForge

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Related Compounds

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CID 19002656
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
(1S,4R)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 11423597
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CID 22296021
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
azanium;methyl sulfate;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 160904354
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968
methyl 3-[(1R,4S,7R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]propanoate
CID 124528585
2-[(1R,4S,14R,17S)-4,17-dimethyl-2-oxo-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadecan-5-yl]propanoic acid
CID 19577088
3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
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Frequently Asked Questions

What is the IUPAC name of (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one?
The IUPAC name of (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one (CID 177461481) is (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one.
What is the SMILES notation for (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one?
The canonical SMILES for (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one is COC12OC3CCC1(C)C(=O)C[C@@H]2[C@H](O)C3.
What is the InChIKey of (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one?
The InChIKey is BQZGJUYACMCQTL-HQBVJDEWSA-N. The full InChI is InChI=1S/C12H18O4/c1-11-4-3-7-5-9(13)8(6-10(11)14)12(11,15-2)16-7/h7-9,13H,3-6H2,1-2H3/t7?,8-,9-,11?,12?/m1/s1.
What are the key properties of (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one?
(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one has a molecular weight of 226.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one is sourced from PubChem (CID 177461481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).