(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene

C8H10OS — CID 10329483

IUPAC(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=C[C@H]2O[C@@H]1[C@@H]1CSC[C@@H]12
InChIInChI=1S/C8H10OS/c1-2-8-6-4-10-3-5(6)7(1)9-8/h1-2,5-8H,3-4H2/t5-,6+,7+,8-
InChIKeyHXCPDFPGLNERPT-SOSBWXJGSA-N
MW154.23 g/mol
LogP1.30
Rot. Bonds

About (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene

(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 10329483) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID10329483
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=C[C@H]2O[C@@H]1[C@@H]1CSC[C@@H]12
InChIInChI=1S/C8H10OS/c1-2-8-6-4-10-3-5(6)7(1)9-8/h1-2,5-8H,3-4H2/t5-,6+,7+,8-
InChIKeyHXCPDFPGLNERPT-SOSBWXJGSA-N
XLogP1.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene (CID 10329483) is (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene is C1=C[C@H]2O[C@@H]1[C@@H]1CSC[C@@H]12.
What is the InChIKey of (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is HXCPDFPGLNERPT-SOSBWXJGSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-8-6-4-10-3-5(6)7(1)9-8/h1-2,5-8H,3-4H2/t5-,6+,7+,8-.
What are the key properties of (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene?
(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 154.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 10329483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).