1-phenoxysulfonyloxydecan-4-yl prop-2-enoate

C19H28O6S — CID 174749972

IUPAC1-phenoxysulfonyloxydecan-4-yl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCC)CCCOS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C19H28O6S/c1-3-5-6-8-12-17(24-19(20)4-2)15-11-16-23-26(21,22)25-18-13-9-7-10-14-18/h4,7,9-10,13-14,17H,2-3,5-6,8,11-12,15-16H2,1H3
InChIKeyIKUKQWQRENIENP-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.18
Rot. Bonds14

About 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate

1-phenoxysulfonyloxydecan-4-yl prop-2-enoate (PubChem CID 174749972) has the molecular formula C19H28O6S and a molecular weight of 384.49 g/mol. Its IUPAC name is 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate.

Molecular Properties

Compound Name1-phenoxysulfonyloxydecan-4-yl prop-2-enoate
PubChem CID174749972
Molecular FormulaC19H28O6S
Molecular Weight384.49 g/mol
Exact Mass384.16
IUPAC Name1-phenoxysulfonyloxydecan-4-yl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCC)CCCOS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C19H28O6S/c1-3-5-6-8-12-17(24-19(20)4-2)15-11-16-23-26(21,22)25-18-13-9-7-10-14-18/h4,7,9-10,13-14,17H,2-3,5-6,8,11-12,15-16H2,1H3
InChIKeyIKUKQWQRENIENP-UHFFFAOYSA-N
XLogP4.18
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

docosan-11-yl prop-2-enoate;styrene
CID 175112193
dodecyl phenyl sulfate
CID 14931957
phenyl undecyl sulfate
CID 154488683
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
sodium;dodecyl phenyl sulfate;hydride
CID 173077040
tridecan-5-yl prop-2-enoate
CID 141073146
pentadecan-4-yl prop-2-enoate
CID 543287
2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
CID 69414913
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
hexoxysulfonyl phenyl sulfate
CID 174405127
dodecan-3-yl prop-2-enoate
CID 543279

Frequently Asked Questions

What is the IUPAC name of 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate?
The IUPAC name of 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate (CID 174749972) is 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate.
What is the SMILES notation for 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate?
The canonical SMILES for 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate is C=CC(=O)OC(CCCCCC)CCCOS(=O)(=O)Oc1ccccc1.
What is the InChIKey of 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate?
The InChIKey is IKUKQWQRENIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6S/c1-3-5-6-8-12-17(24-19(20)4-2)15-11-16-23-26(21,22)25-18-13-9-7-10-14-18/h4,7,9-10,13-14,17H,2-3,5-6,8,11-12,15-16H2,1H3.
What are the key properties of 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate?
1-phenoxysulfonyloxydecan-4-yl prop-2-enoate has a molecular weight of 384.49 g/mol, XLogP of 4.18, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxysulfonyloxydecan-4-yl prop-2-enoate is sourced from PubChem (CID 174749972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).