2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid

C18H26O6S — CID 175024782

IUPAC2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid
SMILESC=C(C)C(=O)OCCOCCc1c(C)c(C)c(C)c(S(=O)(=O)O)c1C
InChIInChI=1S/C18H26O6S/c1-11(2)18(19)24-10-9-23-8-7-16-13(4)12(3)14(5)17(15(16)6)25(20,21)22/h1,7-10H2,2-6H3,(H,20,21,22)
InChIKeyOBVVVKLLDSCJQX-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.85
Rot. Bonds8

About 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid

2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid (PubChem CID 175024782) has the molecular formula C18H26O6S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid
PubChem CID175024782
Molecular FormulaC18H26O6S
Molecular Weight370.47 g/mol
Exact Mass370.15
IUPAC Name2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid
SMILESC=C(C)C(=O)OCCOCCc1c(C)c(C)c(C)c(S(=O)(=O)O)c1C
InChIInChI=1S/C18H26O6S/c1-11(2)18(19)24-10-9-23-8-7-16-13(4)12(3)14(5)17(15(16)6)25(20,21)22/h1,7-10H2,2-6H3,(H,20,21,22)
InChIKeyOBVVVKLLDSCJQX-UHFFFAOYSA-N
XLogP2.85
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
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_2', 'substructure': 'N/A'}

Analyze 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid 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

azane;2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid
CID 175024781
2,3,4,6-tetramethyl-5-[3-(2-methylprop-2-enoylamino)oxypropyl]benzenesulfonic acid
CID 174574427
azane;2,3,4,6-tetramethyl-5-[3-(2-methylprop-2-enoylamino)oxypropyl]benzenesulfonic acid
CID 174574426
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
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]ethyl 2-methylprop-2-enoate
CID 22918033
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]ethyl 2-methylprop-2-enoate;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]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid?
The IUPAC name of 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid (CID 175024782) is 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid.
What is the SMILES notation for 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid?
The canonical SMILES for 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid is C=C(C)C(=O)OCCOCCc1c(C)c(C)c(C)c(S(=O)(=O)O)c1C.
What is the InChIKey of 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid?
The InChIKey is OBVVVKLLDSCJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6S/c1-11(2)18(19)24-10-9-23-8-7-16-13(4)12(3)14(5)17(15(16)6)25(20,21)22/h1,7-10H2,2-6H3,(H,20,21,22).
What are the key properties of 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid?
2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid has a molecular weight of 370.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyl-5-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]benzenesulfonic acid is sourced from PubChem (CID 175024782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).