1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide

C13H22O2S — CID 91525593

IUPAC1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCC1=C(C)CCC1.CC1=C(C)CS(=O)(=O)C1
InChIInChI=1S/C7H12.C6H10O2S/c1-6-4-3-5-7(6)2;1-5-3-9(7,8)4-6(5)2/h3-5H2,1-2H3;3-4H2,1-2H3
InChIKeySQBKIVGNONAZRO-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.26
Rot. Bonds

About 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide

1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 91525593) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID91525593
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCC1=C(C)CCC1.CC1=C(C)CS(=O)(=O)C1
InChIInChI=1S/C7H12.C6H10O2S/c1-6-4-3-5-7(6)2;1-5-3-9(7,8)4-6(5)2/h3-5H2,1-2H3;3-4H2,1-2H3
InChIKeySQBKIVGNONAZRO-UHFFFAOYSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.26
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

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001955
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
1,1-Dioxide-2,5-dihydro-3-methyl-2-(3-methyl-2-butenyl)thiophene
CID 14565890
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 101151657
4,5-Dipropyl-2,3-dihydrothiophene 1-oxide
CID 129751983
(E)-3-methyl-2-methylsulfonylnon-2-ene
CID 134851608
(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413317
(2S)-3-ethyl-2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413489
(7aS)-3-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene 1,1-dioxide
CID 162413490
(2R)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 638498

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide (CID 91525593) is 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide is CC1=C(C)CCC1.CC1=C(C)CS(=O)(=O)C1.
What is the InChIKey of 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is SQBKIVGNONAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H10O2S/c1-6-4-3-5-7(6)2;1-5-3-9(7,8)4-6(5)2/h3-5H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 242.38 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 91525593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).