2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide

C10H18O2S — CID 54350371

IUPAC2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide
SMILESCC(C)=CCC1(C)CCCS1(=O)=O
InChIInChI=1S/C10H18O2S/c1-9(2)5-7-10(3)6-4-8-13(10,11)12/h5H,4,6-8H2,1-3H3
InChIKeyLMETVZTYBANCNT-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.31
Rot. Bonds2

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

2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide (PubChem CID 54350371) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide
PubChem CID54350371
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide
SMILESCC(C)=CCC1(C)CCCS1(=O)=O
InChIInChI=1S/C10H18O2S/c1-9(2)5-7-10(3)6-4-8-13(10,11)12/h5H,4,6-8H2,1-3H3
InChIKeyLMETVZTYBANCNT-UHFFFAOYSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.31
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 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide?
The IUPAC name of 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide (CID 54350371) is 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide is CC(C)=CCC1(C)CCCS1(=O)=O.
What is the InChIKey of 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide?
The InChIKey is LMETVZTYBANCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(2)5-7-10(3)6-4-8-13(10,11)12/h5H,4,6-8H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide?
2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide has a molecular weight of 202.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-2-enyl)thiolane 1,1-dioxide is sourced from PubChem (CID 54350371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).