2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate

C14H22O4S3 — CID 23044366

IUPAC2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(C)SC(C)SCCOC(=O)C=C
InChIInChI=1S/C14H22O4S3/c1-5-13(15)17-7-9-19-11(3)21-12(4)20-10-8-18-14(16)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyZNGFUDUPOKNTIF-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.34
Rot. Bonds12

About 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate

2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate (PubChem CID 23044366) has the molecular formula C14H22O4S3 and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
PubChem CID23044366
Molecular FormulaC14H22O4S3
Molecular Weight350.53 g/mol
Exact Mass350.07
IUPAC Name2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(C)SC(C)SCCOC(=O)C=C
InChIInChI=1S/C14H22O4S3/c1-5-13(15)17-7-9-19-11(3)21-12(4)20-10-8-18-14(16)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyZNGFUDUPOKNTIF-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate 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

2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate
CID 23044364
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-(octyldisulfanyl)ethyl prop-2-enoate
CID 155643744
2-(undecyldisulfanyl)ethyl prop-2-enoate
CID 163198886
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enylsulfanylethyl prop-2-enoate
CID 14957377
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-methyl-3-oxo-5-prop-2-enoyloxypentanoic acid
CID 141428250
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
1-[4-(1-prop-2-enoyloxyethylsulfanyl)butylsulfanyl]ethyl prop-2-enoate
CID 23044367
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate (CID 23044366) is 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate is C=CC(=O)OCCSC(C)SC(C)SCCOC(=O)C=C.
What is the InChIKey of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
The InChIKey is ZNGFUDUPOKNTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S3/c1-5-13(15)17-7-9-19-11(3)21-12(4)20-10-8-18-14(16)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate?
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate has a molecular weight of 350.53 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate is sourced from PubChem (CID 23044366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).