3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide

C10H16O2S — CID 14565890

IUPAC3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide
SMILESCC(C)=CCC1C(C)=CCS1(=O)=O
InChIInChI=1S/C10H16O2S/c1-8(2)4-5-10-9(3)6-7-13(10,11)12/h4,6,10H,5,7H2,1-3H3
InChIKeyWCPXWXJGQUXSEZ-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide

3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 14565890) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide
PubChem CID14565890
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide
SMILESCC(C)=CCC1C(C)=CCS1(=O)=O
InChIInChI=1S/C10H16O2S/c1-8(2)4-5-10-9(3)6-7-13(10,11)12/h4,6,10H,5,7H2,1-3H3
InChIKeyWCPXWXJGQUXSEZ-UHFFFAOYSA-N
XLogP2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.09
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 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide (CID 14565890) is 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide is CC(C)=CCC1C(C)=CCS1(=O)=O.
What is the InChIKey of 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is WCPXWXJGQUXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-8(2)4-5-10-9(3)6-7-13(10,11)12/h4,6,10H,5,7H2,1-3H3.
What are the key properties of 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide?
3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 200.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 14565890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).