(1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one

C11H14O3 — CID 102391480

IUPAC(1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
SMILESC[C@@]12CCO[C@]3(O)C(=O)[C@@H](C=C[C@H]13)C2
InChIInChI=1S/C11H14O3/c1-10-4-5-14-11(13)8(10)3-2-7(6-10)9(11)12/h2-3,7-8,13H,4-6H2,1H3/t7-,8+,10-,11-/m0/s1
InChIKeyUYQSHCNFDRNUDB-OEIWMXHLSA-N
MW194.23 g/mol
LogP0.88
Rot. Bonds

About (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one

(1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one (PubChem CID 102391480) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one.

Molecular Properties

Compound Name(1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
PubChem CID102391480
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
SMILESC[C@@]12CCO[C@]3(O)C(=O)[C@@H](C=C[C@H]13)C2
InChIInChI=1S/C11H14O3/c1-10-4-5-14-11(13)8(10)3-2-7(6-10)9(11)12/h2-3,7-8,13H,4-6H2,1H3/t7-,8+,10-,11-/m0/s1
InChIKeyUYQSHCNFDRNUDB-OEIWMXHLSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2,7-Dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
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(1S,3R,7S,8R)-3-methoxy-10-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
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(1S,3R,7S,8R)-3-methoxy-1-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
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(1S,3R,7S,8S)-9-bromo-3-methoxy-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one?
The IUPAC name of (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one (CID 102391480) is (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one.
What is the SMILES notation for (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one?
The canonical SMILES for (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one is C[C@@]12CCO[C@]3(O)C(=O)[C@@H](C=C[C@H]13)C2.
What is the InChIKey of (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one?
The InChIKey is UYQSHCNFDRNUDB-OEIWMXHLSA-N. The full InChI is InChI=1S/C11H14O3/c1-10-4-5-14-11(13)8(10)3-2-7(6-10)9(11)12/h2-3,7-8,13H,4-6H2,1H3/t7-,8+,10-,11-/m0/s1.
What are the key properties of (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one?
(1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R,8R)-3-hydroxy-7-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one is sourced from PubChem (CID 102391480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).