(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C10H12O3 — CID 10535370

IUPAC(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCO[C@@]12OC[C@@H]3C[C@@H](C=C[C@@H]31)C2=O
InChIInChI=1S/C10H12O3/c1-12-10-8-3-2-6(9(10)11)4-7(8)5-13-10/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+,10-/m1/s1
InChIKeyFTVJJXCIASSORR-CHIQAWFVSA-N
MW180.20 g/mol
LogP0.75
Rot. Bonds1

About (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 10535370) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID10535370
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCO[C@@]12OC[C@@H]3C[C@@H](C=C[C@@H]31)C2=O
InChIInChI=1S/C10H12O3/c1-12-10-8-3-2-6(9(10)11)4-7(8)5-13-10/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+,10-/m1/s1
InChIKeyFTVJJXCIASSORR-CHIQAWFVSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,3aS,5aR,7S,9aS,9bR)-1-methoxy-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzofuran-1-yl]ethanone
CID 44627608
1-(1-Methoxy-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzofuran-1-yl)ethanone
CID 75058552
Oblongolide Y
CID 139583971
4-Oxa-tricyclo(4,3,1,03,7)dec-8-en-2-one
CID 129847970
3,6,9-Trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 164671241
(1S,3R,6R,7S)-8-bromo-3-methoxy-1-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10967671
3-Methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 72828554
3-Methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 85166895
10-Ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 85288053
9-Methoxy-6,10,11-trimethyl-2-methylidene-8-oxatetracyclo[7.3.1.01,5.06,10]trideca-4,11-dien-13-one
CID 57667279
(3-Methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-en-8-yl)boronic acid
CID 172767799
(1R,3R,6R,7S,10R)-3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10511999

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 10535370) is (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is CO[C@@]12OC[C@@H]3C[C@@H](C=C[C@@H]31)C2=O.
What is the InChIKey of (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is FTVJJXCIASSORR-CHIQAWFVSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-10-8-3-2-6(9(10)11)4-7(8)5-13-10/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+,10-/m1/s1.
What are the key properties of (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 180.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 10535370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).