ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate

C26H38O6S2 — CID 173100984

IUPACethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
SMILESC=C.C=C.C=C.C=C.C=C.Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18O6S2.5C2H4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16;5*1-2/h3-10H,11-12H2,1-2H3;5*1-2H2
InChIKeyFJZFCUASIHCIEN-UHFFFAOYSA-N
MW510.72 g/mol
LogP6.43
Rot. Bonds7

About ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate

ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate (PubChem CID 173100984) has the molecular formula C26H38O6S2 and a molecular weight of 510.72 g/mol. Its IUPAC name is ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate.

Molecular Properties

Compound Nameethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
PubChem CID173100984
Molecular FormulaC26H38O6S2
Molecular Weight510.72 g/mol
Exact Mass510.21
IUPAC Nameethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
SMILESC=C.C=C.C=C.C=C.C=C.Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18O6S2.5C2H4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16;5*1-2/h3-10H,11-12H2,1-2H3;5*1-2H2
InChIKeyFJZFCUASIHCIEN-UHFFFAOYSA-N
XLogP6.43
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

[3,4-dimethylidene-6-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate
CID 15321034
2-[3,5-bis[2-(4-methylphenyl)sulfonyloxyethoxy]phenoxy]ethyl 4-methylbenzenesulfonate
CID 10723571
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 123132120
2-(4-methylphenyl)(113C)ethyl 4-methylbenzenesulfonate
CID 102306165
2-(2-hydroxyethoxy)ethanol;2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
CID 159030358
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 161353449
3-iodopropyl 4-methylbenzenesulfonate
CID 15153847
2-[2-[2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 3123163
2-isocyanatoethyl 4-methylbenzenesulfonate
CID 174804599
2-(2-methoxyethoxy)ethyl 4-methylbenzenesulfonate;molecular nitrogen
CID 171517527
2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethylamino]ethoxy]ethyl 4-methylbenzenesulfonate
CID 15760434
1-(18F)fluoropropane;propyl 4-methylbenzenesulfonate
CID 161058369

Frequently Asked Questions

What is the IUPAC name of ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate?
The IUPAC name of ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate (CID 173100984) is ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate.
What is the SMILES notation for ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate?
The canonical SMILES for ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate is C=C.C=C.C=C.C=C.C=C.Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate?
The InChIKey is FJZFCUASIHCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S2.5C2H4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16;5*1-2/h3-10H,11-12H2,1-2H3;5*1-2H2.
What are the key properties of ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate?
ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate has a molecular weight of 510.72 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 173100984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).