(1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C17H26O2Si — CID 11289292

IUPAC(1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESC[Si](C)(C)C/C=C\CC[C@@H]1OC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C17H26O2Si/c1-20(2,3)10-6-4-5-7-14-15-12-8-9-13(11-12)16(15)17(18)19-14/h4,6,8-9,12-16H,5,7,10-11H2,1-3H3/b6-4-/t12-,13+,14+,15+,16+/m1/s1
InChIKeyMSQHEUSPYPNLLF-BYVFYBESSA-N
MW290.48 g/mol
LogP4.02
Rot. Bonds5

About (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11289292) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11289292
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name(1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESC[Si](C)(C)C/C=C\CC[C@@H]1OC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C17H26O2Si/c1-20(2,3)10-6-4-5-7-14-15-12-8-9-13(11-12)16(15)17(18)19-14/h4,6,8-9,12-16H,5,7,10-11H2,1-3H3/b6-4-/t12-,13+,14+,15+,16+/m1/s1
InChIKeyMSQHEUSPYPNLLF-BYVFYBESSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11289292) is (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is C[Si](C)(C)C/C=C\CC[C@@H]1OC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is MSQHEUSPYPNLLF-BYVFYBESSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-20(2,3)10-6-4-5-7-14-15-12-8-9-13(11-12)16(15)17(18)19-14/h4,6,8-9,12-16H,5,7,10-11H2,1-3H3/b6-4-/t12-,13+,14+,15+,16+/m1/s1.
What are the key properties of (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 290.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R,7S)-5-[(Z)-5-trimethylsilylpent-3-enyl]-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11289292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).