2-oxa-7-thiatricyclo[4.3.1.03,8]decane

C8H12OS — CID 567511

IUPAC2-oxa-7-thiatricyclo[4.3.1.03,8]decane
SMILESC1CC2OC3CC1SC2C3
InChIInChI=1S/C8H12OS/c1-2-7-8-4-5(9-7)3-6(1)10-8/h5-8H,1-4H2
InChIKeyVRJYLERNJSIGNK-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.81
Rot. Bonds

About 2-oxa-7-thiatricyclo[4.3.1.03,8]decane

2-oxa-7-thiatricyclo[4.3.1.03,8]decane (PubChem CID 567511) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-oxa-7-thiatricyclo[4.3.1.03,8]decane.

Molecular Properties

Compound Name2-oxa-7-thiatricyclo[4.3.1.03,8]decane
PubChem CID567511
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-oxa-7-thiatricyclo[4.3.1.03,8]decane
SMILESC1CC2OC3CC1SC2C3
InChIInChI=1S/C8H12OS/c1-2-7-8-4-5(9-7)3-6(1)10-8/h5-8H,1-4H2
InChIKeyVRJYLERNJSIGNK-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-thiatricyclo[4.3.1.03,8]decane?
The IUPAC name of 2-oxa-7-thiatricyclo[4.3.1.03,8]decane (CID 567511) is 2-oxa-7-thiatricyclo[4.3.1.03,8]decane.
What is the SMILES notation for 2-oxa-7-thiatricyclo[4.3.1.03,8]decane?
The canonical SMILES for 2-oxa-7-thiatricyclo[4.3.1.03,8]decane is C1CC2OC3CC1SC2C3.
What is the InChIKey of 2-oxa-7-thiatricyclo[4.3.1.03,8]decane?
The InChIKey is VRJYLERNJSIGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-7-8-4-5(9-7)3-6(1)10-8/h5-8H,1-4H2.
What are the key properties of 2-oxa-7-thiatricyclo[4.3.1.03,8]decane?
2-oxa-7-thiatricyclo[4.3.1.03,8]decane has a molecular weight of 156.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7-thiatricyclo[4.3.1.03,8]decane is sourced from PubChem (CID 567511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).