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

C14H22O5S2 — CID 23044364

IUPAC2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(C)OC(C)SCCOC(=O)C=C
InChIInChI=1S/C14H22O5S2/c1-5-13(15)17-7-9-20-11(3)19-12(4)21-10-8-18-14(16)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyBTYSYAHKURSVIQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.62
Rot. Bonds12

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

2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate (PubChem CID 23044364) has the molecular formula C14H22O5S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate
PubChem CID23044364
Molecular FormulaC14H22O5S2
Molecular Weight334.46 g/mol
Exact Mass334.09
IUPAC Name2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSC(C)OC(C)SCCOC(=O)C=C
InChIInChI=1S/C14H22O5S2/c1-5-13(15)17-7-9-20-11(3)19-12(4)21-10-8-18-14(16)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyBTYSYAHKURSVIQ-UHFFFAOYSA-N
XLogP2.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.62
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'}

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Related Compounds

2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
CID 23044366
1-[4-(1-prop-2-enoyloxyethylsulfanyl)butylsulfanyl]ethyl prop-2-enoate
CID 23044367
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-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate (CID 23044364) is 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate is C=CC(=O)OCCSC(C)OC(C)SCCOC(=O)C=C.
What is the InChIKey of 2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate?
The InChIKey is BTYSYAHKURSVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5S2/c1-5-13(15)17-7-9-20-11(3)19-12(4)21-10-8-18-14(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)ethoxy]ethylsulfanyl]ethyl prop-2-enoate?
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate has a molecular weight of 334.46 g/mol, XLogP of 2.62, 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)ethoxy]ethylsulfanyl]ethyl prop-2-enoate is sourced from PubChem (CID 23044364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).