2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate

C16H24O4S2 — CID 88557107

IUPAC2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate
SMILESC=C(CSCCOC(=O)C(=C)C)CSCCOC(=O)C(=C)C
InChIInChI=1S/C16H24O4S2/c1-12(2)15(17)19-6-8-21-10-14(5)11-22-9-7-20-16(18)13(3)4/h1,3,5-11H2,2,4H3
InChIKeyJAEZHRCQFFQJND-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.25
Rot. Bonds12

About 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate

2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate (PubChem CID 88557107) has the molecular formula C16H24O4S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate
PubChem CID88557107
Molecular FormulaC16H24O4S2
Molecular Weight344.50 g/mol
Exact Mass344.11
IUPAC Name2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate
SMILESC=C(CSCCOC(=O)C(=C)C)CSCCOC(=O)C(=C)C
InChIInChI=1S/C16H24O4S2/c1-12(2)15(17)19-6-8-21-10-14(5)11-22-9-7-20-16(18)13(3)4/h1,3,5-11H2,2,4H3
InChIKeyJAEZHRCQFFQJND-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 10156538
methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid
CID 158708076
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
CID 158479065
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]ethyl 2-methylprop-2-enoate
CID 141098412
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate (CID 88557107) is 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate is C=C(CSCCOC(=O)C(=C)C)CSCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate?
The InChIKey is JAEZHRCQFFQJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4S2/c1-12(2)15(17)19-6-8-21-10-14(5)11-22-9-7-20-16(18)13(3)4/h1,3,5-11H2,2,4H3.
What are the key properties of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate?
2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate has a molecular weight of 344.50 g/mol, XLogP of 3.25, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88557107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).