2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide

C11H14O2S — CID 15748590

IUPAC2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide
SMILESO=S1(=O)C=C2CCC=C3CCCC1C23
InChIInChI=1S/C11H14O2S/c12-14(13)7-9-5-1-3-8-4-2-6-10(14)11(8)9/h3,7,10-11H,1-2,4-6H2
InChIKeyHZBVDUIDNCOJQB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.19
Rot. Bonds

About 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide

2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide (PubChem CID 15748590) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide.

Molecular Properties

Compound Name2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide
PubChem CID15748590
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide
SMILESO=S1(=O)C=C2CCC=C3CCCC1C23
InChIInChI=1S/C11H14O2S/c12-14(13)7-9-5-1-3-8-4-2-6-10(14)11(8)9/h3,7,10-11H,1-2,4-6H2
InChIKeyHZBVDUIDNCOJQB-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.19
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 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide?
The IUPAC name of 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide (CID 15748590) is 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide.
What is the SMILES notation for 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide?
The canonical SMILES for 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide is O=S1(=O)C=C2CCC=C3CCCC1C23.
What is the InChIKey of 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide?
The InChIKey is HZBVDUIDNCOJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-14(13)7-9-5-1-3-8-4-2-6-10(14)11(8)9/h3,7,10-11H,1-2,4-6H2.
What are the key properties of 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide?
2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide has a molecular weight of 210.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2lambda6-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene 2,2-dioxide is sourced from PubChem (CID 15748590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).