[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate

C24H40O6Sn — CID 139683682

IUPAC[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Sn](CCCCCCCCCCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C12H25.3C4H6O2.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-3(2)4(5)6;/h1,3-12H2,2H3;3*1H2,2H3,(H,5,6);/q;;;;+3/p-3
InChIKeyIRLWPLYDFJPKDY-UHFFFAOYSA-K
MW543.29 g/mol
LogP6.20
Rot. Bonds17

About [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate

[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate (PubChem CID 139683682) has the molecular formula C24H40O6Sn and a molecular weight of 543.29 g/mol. Its IUPAC name is [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
PubChem CID139683682
Molecular FormulaC24H40O6Sn
Molecular Weight543.29 g/mol
Exact Mass544.18
IUPAC Name[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Sn](CCCCCCCCCCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C12H25.3C4H6O2.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-3(2)4(5)6;/h1,3-12H2,2H3;3*1H2,2H3,(H,5,6);/q;;;;+3/p-3
InChIKeyIRLWPLYDFJPKDY-UHFFFAOYSA-K
XLogP6.20
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.29
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[butyl(diethyl)stannyl] 2-methylprop-2-enoate
CID 173373063
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905
[di(butanoyloxy)-dodecylstannyl] butanoate
CID 139676665
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
methane;nonyl 2-methylprop-2-enoate
CID 174847930
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000

Frequently Asked Questions

What is the IUPAC name of [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate?
The IUPAC name of [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate (CID 139683682) is [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate.
What is the SMILES notation for [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate?
The canonical SMILES for [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[Sn](CCCCCCCCCCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate?
The InChIKey is IRLWPLYDFJPKDY-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H25.3C4H6O2.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-3(2)4(5)6;/h1,3-12H2,2H3;3*1H2,2H3,(H,5,6);/q;;;;+3/p-3.
What are the key properties of [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate?
[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate has a molecular weight of 543.29 g/mol, XLogP of 6.20, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139683682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).