methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate

C15H18O5S — CID 90357410

IUPACmethyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
SMILESCOC(=O)/C(C)=C(\OS(=O)(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H18O5S/c1-10-4-8-13(9-5-10)21(17,18)20-14(12-6-7-12)11(2)15(16)19-3/h4-5,8-9,12H,6-7H2,1-3H3/b14-11-
InChIKeyMQRACJLQKFOHKZ-KAMYIIQDSA-N
MW310.37 g/mol
LogP2.56
Rot. Bonds5

About methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate

methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate (PubChem CID 90357410) has the molecular formula C15H18O5S and a molecular weight of 310.37 g/mol. Its IUPAC name is methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
PubChem CID90357410
Molecular FormulaC15H18O5S
Molecular Weight310.37 g/mol
Exact Mass310.09
IUPAC Namemethyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
SMILESCOC(=O)/C(C)=C(\OS(=O)(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H18O5S/c1-10-4-8-13(9-5-10)21(17,18)20-14(12-6-7-12)11(2)15(16)19-3/h4-5,8-9,12H,6-7H2,1-3H3/b14-11-
InChIKeyMQRACJLQKFOHKZ-KAMYIIQDSA-N
XLogP2.56
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate 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 methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The IUPAC name of methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate (CID 90357410) is methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The canonical SMILES for methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate is COC(=O)/C(C)=C(\OS(=O)(=O)c1ccc(C)cc1)C1CC1.
What is the InChIKey of methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The InChIKey is MQRACJLQKFOHKZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H18O5S/c1-10-4-8-13(9-5-10)21(17,18)20-14(12-6-7-12)11(2)15(16)19-3/h4-5,8-9,12H,6-7H2,1-3H3/b14-11-.
What are the key properties of methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate has a molecular weight of 310.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate is sourced from PubChem (CID 90357410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).