[2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate

C32H44O12Si — CID 175138601

IUPAC[2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(OC(=O)C(=C)C)[Si](COC(=O)C(=C)C)(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C32H44O12Si/c1-19(2)26(33)39-15-32(13,16-40-27(34)20(3)4)14-25(43-30(37)23(9)10)45(44-31(38)24(11)12,17-41-28(35)21(5)6)18-42-29(36)22(7)8/h25H,1,3,5,7,9,11,14-18H2,2,4,6,8,10,12-13H3
InChIKeyJCTFMYAEKGFDMR-UHFFFAOYSA-N
MW648.78 g/mol
LogP4.03
Rot. Bonds19

About [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate

[2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate (PubChem CID 175138601) has the molecular formula C32H44O12Si and a molecular weight of 648.78 g/mol. Its IUPAC name is [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
PubChem CID175138601
Molecular FormulaC32H44O12Si
Molecular Weight648.78 g/mol
Exact Mass648.26
IUPAC Name[2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(OC(=O)C(=C)C)[Si](COC(=O)C(=C)C)(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C32H44O12Si/c1-19(2)26(33)39-15-32(13,16-40-27(34)20(3)4)14-25(43-30(37)23(9)10)45(44-31(38)24(11)12,17-41-28(35)21(5)6)18-42-29(36)22(7)8/h25H,1,3,5,7,9,11,14-18H2,2,4,6,8,10,12-13H3
InChIKeyJCTFMYAEKGFDMR-UHFFFAOYSA-N
XLogP4.03
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.78
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 154123375
[2-[[hydroxy-[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87503837
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] dodecanedioate
CID 170682365
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
CID 129094110
2-methylprop-2-enoic acid;propan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 160722442
[2-(tert-butylamino)-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 22750442
trichlorosilylmethyl 2-methylprop-2-enoate
CID 22457275
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
(6,6,6-trifluoro-2-hydroxy-2,5-dimethylhexyl) 2-methylprop-2-enoate
CID 175062743
[3-ethoxy-3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 139946038

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate (CID 175138601) is [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(OC(=O)C(=C)C)[Si](COC(=O)C(=C)C)(COC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The InChIKey is JCTFMYAEKGFDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O12Si/c1-19(2)26(33)39-15-32(13,16-40-27(34)20(3)4)14-25(43-30(37)23(9)10)45(44-31(38)24(11)12,17-41-28(35)21(5)6)18-42-29(36)22(7)8/h25H,1,3,5,7,9,11,14-18H2,2,4,6,8,10,12-13H3.
What are the key properties of [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
[2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate has a molecular weight of 648.78 g/mol, XLogP of 4.03, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylprop-2-enoyloxy)-4-[2-methylprop-2-enoyloxy-bis(2-methylprop-2-enoyloxymethyl)silyl]-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 175138601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).