2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate

C16H26O4S3 — CID 10156538

IUPAC2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCSCCSCCSCCOC(=O)C(=C)C
InChIInChI=1S/C16H26O4S3/c1-13(2)15(17)19-5-7-21-9-11-23-12-10-22-8-6-20-16(18)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyXSNDDHPDSNPUKD-UHFFFAOYSA-N
MW378.58 g/mol
LogP3.42
Rot. Bonds14

About 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate (PubChem CID 10156538) has the molecular formula C16H26O4S3 and a molecular weight of 378.58 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
PubChem CID10156538
Molecular FormulaC16H26O4S3
Molecular Weight378.58 g/mol
Exact Mass378.10
IUPAC Name2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCSCCSCCSCCOC(=O)C(=C)C
InChIInChI=1S/C16H26O4S3/c1-13(2)15(17)19-5-7-21-9-11-23-12-10-22-8-6-20-16(18)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyXSNDDHPDSNPUKD-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 53.42
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-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate
CID 88557107
methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid
CID 158708076
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
CID 158479065
2-[2-(3,3,5,5,7,7,9,9,9-nonafluorononylsulfanyl)ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 158048963
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[4-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]phenyl]sulfinylphenyl]sulfanylethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 89252570
4-heptylsulfanylbutyl 2-methylprop-2-enoate
CID 165355535
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethylsulfanyl]ethylsulfanyl]ethyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157246062
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate (CID 10156538) is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCSCCSCCSCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate?
The InChIKey is XSNDDHPDSNPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4S3/c1-13(2)15(17)19-5-7-21-9-11-23-12-10-22-8-6-20-16(18)14(3)4/h1,3,5-12H2,2,4H3.
What are the key properties of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate?
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate has a molecular weight of 378.58 g/mol, XLogP of 3.42, 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-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 10156538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).