6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate

C24H36O8S — CID 158479065

IUPAC6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=CC(=O)OCCSCCOC(=O)C=C
InChIInChI=1S/C14H22O4.C10H14O4S/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4;1-3-9(11)13-5-7-15-8-6-14-10(12)4-2/h1,3,5-10H2,2,4H3;3-4H,1-2,5-8H2
InChIKeyHHHIFONYCPAHNJ-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.96
Rot. Bonds17

About 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate

6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate (PubChem CID 158479065) has the molecular formula C24H36O8S and a molecular weight of 484.61 g/mol. Its IUPAC name is 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
PubChem CID158479065
Molecular FormulaC24H36O8S
Molecular Weight484.61 g/mol
Exact Mass484.21
IUPAC Name6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=CC(=O)OCCSCCOC(=O)C=C
InChIInChI=1S/C14H22O4.C10H14O4S/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4;1-3-9(11)13-5-7-15-8-6-14-10(12)4-2/h1,3,5-10H2,2,4H3;3-4H,1-2,5-8H2
InChIKeyHHHIFONYCPAHNJ-UHFFFAOYSA-N
XLogP3.96
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 10156538
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate?
The IUPAC name of 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate (CID 158479065) is 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate.
What is the SMILES notation for 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate?
The canonical SMILES for 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate is C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=CC(=O)OCCSCCOC(=O)C=C.
What is the InChIKey of 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate?
The InChIKey is HHHIFONYCPAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4.C10H14O4S/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4;1-3-9(11)13-5-7-15-8-6-14-10(12)4-2/h1,3,5-10H2,2,4H3;3-4H,1-2,5-8H2.
What are the key properties of 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate?
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate has a molecular weight of 484.61 g/mol, XLogP of 3.96, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate is sourced from PubChem (CID 158479065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).