ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate

C19H38O3Si — CID 134945987

IUPACethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate
SMILESC=C(CCC(C)CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C19H38O3Si/c1-10-21-19(20)18(9)12-11-17(8)13-22-23(14(2)3,15(4)5)16(6)7/h14-17H,9-13H2,1-8H3
InChIKeyVASSUCJEQGJTMM-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds11

About ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate

ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate (PubChem CID 134945987) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate.

Molecular Properties

Compound Nameethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate
PubChem CID134945987
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nameethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate
SMILESC=C(CCC(C)CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C19H38O3Si/c1-10-21-19(20)18(9)12-11-17(8)13-22-23(14(2)3,15(4)5)16(6)7/h14-17H,9-13H2,1-8H3
InChIKeyVASSUCJEQGJTMM-UHFFFAOYSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 10038060
ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
CID 11724843
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate
CID 19880146
1-O-methyl 6-O-propyl 2-methyl-5-methylidenehexanedioate
CID 22094221
3-[Chloro(dimethyl)silyl]propyl 2-methylidenehexanoate
CID 22368591
2-[Chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate
CID 22368594
1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate
CID 57226793
CID 88155411
CID 88155411
Dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate
CID 123523064
Ethyl 5-methyl-2-methylidenehexanoate
CID 125472152
Octadecyl 5-methyl-2-methylidenehexanoate
CID 135369920
Dipropan-2-yl 2-methylidene-3-[1-tris(trimethylsilyloxy)silylpropyl]butanedioate
CID 139808384

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate?
The IUPAC name of ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate (CID 134945987) is ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate.
What is the SMILES notation for ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate?
The canonical SMILES for ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate is C=C(CCC(C)CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate?
The InChIKey is VASSUCJEQGJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-21-19(20)18(9)12-11-17(8)13-22-23(14(2)3,15(4)5)16(6)7/h14-17H,9-13H2,1-8H3.
What are the key properties of ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate?
ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate is sourced from PubChem (CID 134945987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).