(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

C11H14O3 — CID 10130335

IUPAC(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
SMILESC[C@H]1C=C2C(=O)O[C@H]3CCC(C1)[C@@]23O
InChIInChI=1S/C11H14O3/c1-6-4-7-2-3-9-11(7,13)8(5-6)10(12)14-9/h5-7,9,13H,2-4H2,1H3/t6-,7?,9+,11-/m1/s1
InChIKeySOIISBQQYAGDKM-BUAOBOIDSA-N
MW194.23 g/mol
LogP1.02
Rot. Bonds

About (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one (PubChem CID 10130335) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one.

Molecular Properties

Compound Name(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
PubChem CID10130335
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
SMILESC[C@H]1C=C2C(=O)O[C@H]3CCC(C1)[C@@]23O
InChIInChI=1S/C11H14O3/c1-6-4-7-2-3-9-11(7,13)8(5-6)10(12)14-9/h5-7,9,13H,2-4H2,1H3/t6-,7?,9+,11-/m1/s1
InChIKeySOIISBQQYAGDKM-BUAOBOIDSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide;(4R,11S)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 142370500
(4R,7R,9S,11S)-9-fluoro-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 118369937
(4R,9S,11S)-9-methyl-11-[2-(6-methyl-2-pyridinyl)ethoxy]-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 134573191
2,2-dimethyl-N-[5-[[(4R,11S)-9-methyl-2-oxo-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-11-yl]oxymethyl]-2-pyridinyl]propanamide
CID 145196505
4-chloro-N-[(4R,9R,11S)-11-hydroxy-9-methyl-2-oxo-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-9-yl]benzenesulfonamide
CID 134601777
N-[(4R,7R,9R,11S)-11-hydroxy-9-methyl-2-oxo-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-9-yl]-4-nitrobenzenesulfonamide
CID 146442876
N-[(4R,9R,11S)-11-hydroxy-9-methyl-2-oxo-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-9-yl]-2-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142370499
(4R,5S,7S,9R,11S)-5-benzyl-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one;(4R,5S,7S,11S)-5-benzyl-11-hydroxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one;(4R,5S,7S,9R,11S)-11-hydroxy-9-methyl-5-phenyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one;(4R,6R,7S,9R,11S)-11-hydroxy-9-methyl-6-phenyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one;(4R,7S,9R,11S)-11-hydroxy-5,5,7,9-tetramethyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one;(4R,7R,9S,11S)-11-hydroxy-8,8,9-trimethyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one;methyl (1aS,2R,3aS,5R,7aS)-5-methyl-2-phenyl-1a,2,3,3a,4,5-hexahydroindeno[1,7a-b]oxirene-7-carboxylate;methyl (1aS,2S,3aS,5R,7aS)-5-methyl-2-phenyl-1a,2,3,3a,4,5-hexahydroindeno[1,7a-b]oxirene-7-carboxylate;methyl (1aS,3aS,5R,7aS)-2,2,5-trimethyl-3,3a,4,5-tetrahydro-1aH-indeno[1,7a-b]oxirene-7-carboxylate
CID 160788671
(4R,7R,9S,11S)-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 163038649
9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 85125809
2-hydroxy-4-methyl-2H-furan-5-one
CID 5279300
6,8-dihydroxy-5,8-dimethyl-1-methylidene-4,5,5a,6,7,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
CID 163038736

Frequently Asked Questions

What is the IUPAC name of (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The IUPAC name of (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one (CID 10130335) is (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one.
What is the SMILES notation for (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The canonical SMILES for (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one is C[C@H]1C=C2C(=O)O[C@H]3CCC(C1)[C@@]23O.
What is the InChIKey of (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The InChIKey is SOIISBQQYAGDKM-BUAOBOIDSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-4-7-2-3-9-11(7,13)8(5-6)10(12)14-9/h5-7,9,13H,2-4H2,1H3/t6-,7?,9+,11-/m1/s1.
What are the key properties of (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one is sourced from PubChem (CID 10130335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).