1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide

C11H18O2S — CID 15940005

IUPAC1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide
SMILESCC1=C(C)C2(C)C(C)C1(C)CS2(=O)=O
InChIInChI=1S/C11H18O2S/c1-7-8(2)11(5)9(3)10(7,4)6-14(11,12)13/h9H,6H2,1-5H3
InChIKeyUJADYDZZTKKPQM-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.17
Rot. Bonds

About 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide

1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide (PubChem CID 15940005) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide.

Molecular Properties

Compound Name1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide
PubChem CID15940005
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide
SMILESCC1=C(C)C2(C)C(C)C1(C)CS2(=O)=O
InChIInChI=1S/C11H18O2S/c1-7-8(2)11(5)9(3)10(7,4)6-14(11,12)13/h9H,6H2,1-5H3
InChIKeyUJADYDZZTKKPQM-UHFFFAOYSA-N
XLogP2.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.17
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 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide?
The IUPAC name of 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide (CID 15940005) is 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide.
What is the SMILES notation for 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide?
The canonical SMILES for 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide is CC1=C(C)C2(C)C(C)C1(C)CS2(=O)=O.
What is the InChIKey of 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide?
The InChIKey is UJADYDZZTKKPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-7-8(2)11(5)9(3)10(7,4)6-14(11,12)13/h9H,6H2,1-5H3.
What are the key properties of 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide?
1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide has a molecular weight of 214.33 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7-pentamethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide is sourced from PubChem (CID 15940005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).