2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate

C14H22O4S3 — CID 15076794

IUPAC2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSCCSCCSCCOC(=O)C=C
InChIInChI=1S/C14H22O4S3/c1-3-13(15)17-5-7-19-9-11-21-12-10-20-8-6-18-14(16)4-2/h3-4H,1-2,5-12H2
InChIKeyCMKAWTSAOXSDAG-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.64
Rot. Bonds14

About 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate

2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate (PubChem CID 15076794) has the molecular formula C14H22O4S3 and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
PubChem CID15076794
Molecular FormulaC14H22O4S3
Molecular Weight350.53 g/mol
Exact Mass350.07
IUPAC Name2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSCCSCCSCCOC(=O)C=C
InChIInChI=1S/C14H22O4S3/c1-3-13(15)17-5-7-19-9-11-21-12-10-20-8-6-18-14(16)4-2/h3-4H,1-2,5-12H2
InChIKeyCMKAWTSAOXSDAG-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-(Methylthio)ethyl acrylate
CID 20973
2-Propenoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
CID 88213
Diallyl thiodiacetate
CID 22740
2-(Ethylthio)ethyl acrylate
CID 27134
Sulfonium, 2-acryloxyethyldimethyl-, methyl sulfate
CID 78549
ethyl (E)-4-ethylsulfanyl-4-oxobut-2-enoate
CID 13198664
S-methyl thioethylacrylate
CID 22596663
Disulfanediylbis(ethane-2,1-diyl) diacrylate
CID 71657381
2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-
CID 5825729
2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2Z,2'Z)-
CID 6436527
2,3-Bis(3,3-difluoropropylsulfanyl)propyl prop-2-enoate
CID 89029631
2-[1,1,2-Trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]propoxy]ethyl]sulfanylethyl prop-2-enoate
CID 162752842

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate (CID 15076794) is 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate is C=CC(=O)OCCSCCSCCSCCOC(=O)C=C.
What is the InChIKey of 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
The InChIKey is CMKAWTSAOXSDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S3/c1-3-13(15)17-5-7-19-9-11-21-12-10-20-8-6-18-14(16)4-2/h3-4H,1-2,5-12H2.
What are the key properties of 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate has a molecular weight of 350.53 g/mol, XLogP of 2.64, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate is sourced from PubChem (CID 15076794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).