3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate

C11H20O5S — CID 174805251

IUPAC3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOS(=O)(=O)C(C)CC
InChIInChI=1S/C11H20O5S/c1-5-10(4)17(13,14)16-8-6-7-15-11(12)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyANKZKHBXZDFCEP-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.64
Rot. Bonds8

About 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate

3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate (PubChem CID 174805251) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate
PubChem CID174805251
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOS(=O)(=O)C(C)CC
InChIInChI=1S/C11H20O5S/c1-5-10(4)17(13,14)16-8-6-7-15-11(12)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyANKZKHBXZDFCEP-UHFFFAOYSA-N
XLogP1.64
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[3-(2-methylprop-2-enoyloxysulfonyl)propoxysulfonyl]propyl 2-methylprop-2-enoate
CID 174759874
2-hydroxy-6-(2-methylprop-2-enoyloxy)hexane-3-sulfonic acid
CID 174585687
3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 178065239
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
butyl 2-methylprop-2-enoate;methane
CID 159646333
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate?
The IUPAC name of 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate (CID 174805251) is 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOS(=O)(=O)C(C)CC.
What is the InChIKey of 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate?
The InChIKey is ANKZKHBXZDFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-5-10(4)17(13,14)16-8-6-7-15-11(12)9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate?
3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate has a molecular weight of 264.34 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 174805251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).