3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide

C10H18O3S — CID 165494542

IUPAC3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(C)CC(C)OC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-8(2)6-9(3)13-10-4-5-14(11,12)7-10/h4-5,8-10H,6-7H2,1-3H3
InChIKeySGFSULHZXPVQES-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

About 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide

3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165494542) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165494542
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(C)CC(C)OC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-8(2)6-9(3)13-10-4-5-14(11,12)7-10/h4-5,8-10H,6-7H2,1-3H3
InChIKeySGFSULHZXPVQES-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide with MolForge

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Related Compounds

3-Butoxy-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 129789987
3,7-Dimethyl-5-(3-methylsulfonylpropoxy)oct-3-ene
CID 123516418
3-(3-Cyclopropylpropoxy)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165486050
3-(1-Cyclobutylpropoxy)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165486730
3-[(3-Methylcyclopentyl)oxy]-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489570
3-(Pentan-2-yloxy)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489674
3-[(4-Methylpentyl)oxy]-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489677
3-(2-Ethylbutoxy)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489678
3-[(3-Methylcyclohexyl)oxy]-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489680
3-[(4-Methylcyclohexyl)oxy]-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489681
3-(2-Butoxyethoxy)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489682
3-[(2-Methoxy-3-methylpentyl)oxy]-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489723

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165494542) is 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide is CC(C)CC(C)OC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is SGFSULHZXPVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-8(2)6-9(3)13-10-4-5-14(11,12)7-10/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165494542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).