2-methylprop-1-enyl methanesulfonate

C5H10O3S — CID 12842394

IUPAC2-methylprop-1-enyl methanesulfonate
SMILESCC(C)=COS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(2)4-8-9(3,6)7/h4H,1-3H3
InChIKeyILJBHDNDGXGFMD-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.89
Rot. Bonds2

About 2-methylprop-1-enyl methanesulfonate

2-methylprop-1-enyl methanesulfonate (PubChem CID 12842394) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methylprop-1-enyl methanesulfonate.

Molecular Properties

Compound Name2-methylprop-1-enyl methanesulfonate
PubChem CID12842394
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-methylprop-1-enyl methanesulfonate
SMILESCC(C)=COS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(2)4-8-9(3,6)7/h4H,1-3H3
InChIKeyILJBHDNDGXGFMD-UHFFFAOYSA-N
XLogP0.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-methylprop-1-enyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enyl methanesulfonate?
The IUPAC name of 2-methylprop-1-enyl methanesulfonate (CID 12842394) is 2-methylprop-1-enyl methanesulfonate.
What is the SMILES notation for 2-methylprop-1-enyl methanesulfonate?
The canonical SMILES for 2-methylprop-1-enyl methanesulfonate is CC(C)=COS(C)(=O)=O.
What is the InChIKey of 2-methylprop-1-enyl methanesulfonate?
The InChIKey is ILJBHDNDGXGFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(2)4-8-9(3,6)7/h4H,1-3H3.
What are the key properties of 2-methylprop-1-enyl methanesulfonate?
2-methylprop-1-enyl methanesulfonate has a molecular weight of 150.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enyl methanesulfonate is sourced from PubChem (CID 12842394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).