8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate

C18H26O5S — CID 19745508

IUPAC8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H26O5S/c1-15(2)18(20)23-13-7-5-3-4-6-8-14-24(21,22)17-11-9-16(19)10-12-17/h9-12,19H,1,3-8,13-14H2,2H3
InChIKeyQQJKCEXEHSTYPC-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.63
Rot. Bonds11

About 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate

8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate (PubChem CID 19745508) has the molecular formula C18H26O5S and a molecular weight of 354.47 g/mol. Its IUPAC name is 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate
PubChem CID19745508
Molecular FormulaC18H26O5S
Molecular Weight354.47 g/mol
Exact Mass354.15
IUPAC Name8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H26O5S/c1-15(2)18(20)23-13-7-5-3-4-6-8-14-24(21,22)17-11-9-16(19)10-12-17/h9-12,19H,1,3-8,13-14H2,2H3
InChIKeyQQJKCEXEHSTYPC-UHFFFAOYSA-N
XLogP3.63
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.63
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'}

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Related Compounds

8-(4-hydroxy-3-methylphenyl)sulfonyloctyl 2-methylprop-2-enoate
CID 19745500
6-(4-hydroxy-3-propan-2-ylphenyl)sulfonylhexyl 2-methylprop-2-enoate
CID 19745505
4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate
CID 19745504
10-(2-methylprop-2-enoyloxy)decyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 150357429
6-(2-methylprop-2-enoyloxy)hexane-1-sulfonate
CID 140800705
1-[3-(4-hydroxyphenyl)sulfonylpropoxy]propyl 2-methylprop-2-enoate
CID 19745482
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate
CID 23554070
4-pentylsulfonylphenol
CID 67000666
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate?
The IUPAC name of 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate (CID 19745508) is 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate?
The canonical SMILES for 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate?
The InChIKey is QQJKCEXEHSTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5S/c1-15(2)18(20)23-13-7-5-3-4-6-8-14-24(21,22)17-11-9-16(19)10-12-17/h9-12,19H,1,3-8,13-14H2,2H3.
What are the key properties of 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate?
8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate has a molecular weight of 354.47 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate is sourced from PubChem (CID 19745508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).