8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide

C13H14O2S — CID 15204457

IUPAC8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide
SMILESC=C1C(=C)C2C(=C)CC1C1=C2CS(=O)(=O)C1
InChIInChI=1S/C13H14O2S/c1-7-4-10-8(2)9(3)13(7)12-6-16(14,15)5-11(10)12/h10,13H,1-6H2
InChIKeyMYHGLIJKHNYHGY-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.03
Rot. Bonds

About 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide

8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide (PubChem CID 15204457) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide.

Molecular Properties

Compound Name8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide
PubChem CID15204457
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide
SMILESC=C1C(=C)C2C(=C)CC1C1=C2CS(=O)(=O)C1
InChIInChI=1S/C13H14O2S/c1-7-4-10-8(2)9(3)13(7)12-6-16(14,15)5-11(10)12/h10,13H,1-6H2
InChIKeyMYHGLIJKHNYHGY-UHFFFAOYSA-N
XLogP2.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-Ethanobenzo(b)thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxide
CID 145260
6-Methyl-2,3,4,5,6,7-hexahydro-1-benzothiophene 1,1-dioxide
CID 328226
4lambda6-Thiatetracyclo[5.4.2.02,6.08,11]trideca-2(6),9,12-triene 4,4-dioxide
CID 429399
(1S,2R,6S,7R)-4lambda6-thiatricyclo[5.2.2.02,6]undec-8-ene 4,4-dioxide
CID 10262143
13-Methylidene-4lambda6,10lambda6-dithiatetracyclo[5.5.2.02,6.08,12]tetradeca-2(6),8(12)-diene 4,4,10,10-tetraoxide
CID 15204461
(6S)-6-methyl-2,3,4,5,6,7-hexahydro-1-benzothiophene 1,1-dioxide
CID 21670931
1,3,3a,4,6,7,8,9,9a,9b-Decahydronaphtho[1,2-c]thiophene 2,2-dioxide
CID 24209428
(1R,7S,8S,11S)-4lambda6-thiatetracyclo[5.4.2.02,6.08,11]trideca-2(6),9,12-triene 4,4-dioxide
CID 92435228
(3aS,9aS,9bR)-1,3,3a,4,6,7,8,9,9a,9b-decahydrobenzo[g][2]benzothiole 2,2-dioxide
CID 94034905
(3aR,9aS,9bR)-1,3,3a,4,6,7,8,9,9a,9b-decahydrobenzo[g][2]benzothiole 2,2-dioxide
CID 94034906
(3aS,9aS,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydrobenzo[g][2]benzothiole 2,2-dioxide
CID 94034907
(3aR,9aS,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydrobenzo[g][2]benzothiole 2,2-dioxide
CID 94034908

Frequently Asked Questions

What is the IUPAC name of 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide?
The IUPAC name of 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide (CID 15204457) is 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide.
What is the SMILES notation for 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide?
The canonical SMILES for 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide is C=C1C(=C)C2C(=C)CC1C1=C2CS(=O)(=O)C1.
What is the InChIKey of 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide?
The InChIKey is MYHGLIJKHNYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-7-4-10-8(2)9(3)13(7)12-6-16(14,15)5-11(10)12/h10,13H,1-6H2.
What are the key properties of 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide?
8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide has a molecular weight of 234.32 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-trimethylidene-4lambda6-thiatricyclo[5.2.2.02,6]undec-2(6)-ene 4,4-dioxide is sourced from PubChem (CID 15204457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).