(1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C11H14O3 — CID 11052520

IUPAC(1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCO[C@]12OC[C@@H]3C[C@H](C1=O)C(C)=C[C@@H]32
InChIInChI=1S/C11H14O3/c1-6-3-9-7-4-8(6)10(12)11(9,13-2)14-5-7/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-,11+/m0/s1
InChIKeyCFSVKGNUNVNCMD-FTYOSLGDSA-N
MW194.23 g/mol
LogP1.14
Rot. Bonds1

About (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

(1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 11052520) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name(1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID11052520
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCO[C@]12OC[C@@H]3C[C@H](C1=O)C(C)=C[C@@H]32
InChIInChI=1S/C11H14O3/c1-6-3-9-7-4-8(6)10(12)11(9,13-2)14-5-7/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-,11+/m0/s1
InChIKeyCFSVKGNUNVNCMD-FTYOSLGDSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.14
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-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

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
(1R,4R,7R)-3,3-dimethoxy-5-methyl-7-prop-1-en-2-ylbicyclo[2.2.2]oct-5-en-2-one
CID 11241838
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,7R,10R)-1,3-dimethoxy-8,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10490111
(1R,3R,6R,7S,10R)-3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10511999
(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10535370

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 11052520) is (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is CO[C@]12OC[C@@H]3C[C@H](C1=O)C(C)=C[C@@H]32.
What is the InChIKey of (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is CFSVKGNUNVNCMD-FTYOSLGDSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-3-9-7-4-8(6)10(12)11(9,13-2)14-5-7/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-,11+/m0/s1.
What are the key properties of (1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
(1S,3R,6R,7S)-3-methoxy-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.14, 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-9-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 11052520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).