methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate

C19H38O3Si — CID 15214222

IUPACmethyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
SMILESC=CCC(CC(C)(C)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-11-12-17(13-19(8,9)18(20)21-10)22-23(14(2)3,15(4)5)16(6)7/h11,14-17H,1,12-13H2,2-10H3
InChIKeyJYDDRFGMCNJYGM-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds10

About methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate

methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate (PubChem CID 15214222) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
PubChem CID15214222
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namemethyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
SMILESC=CCC(CC(C)(C)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-11-12-17(13-19(8,9)18(20)21-10)22-23(14(2)3,15(4)5)16(6)7/h11,14-17H,1,12-13H2,2-10H3
InChIKeyJYDDRFGMCNJYGM-UHFFFAOYSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 15921989
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 139623985
Methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate
CID 173005140
dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate
CID 10544438
Dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate
CID 10806356
methyl (3S,4S)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
CID 10859996
methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
CID 10990672
ethyl (2R)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]pent-4-enoate
CID 21636407
[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
CID 71504119
tert-butyl 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 101348858
Methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate
CID 101410326

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate?
The IUPAC name of methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate (CID 15214222) is methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate.
What is the SMILES notation for methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate?
The canonical SMILES for methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate is C=CCC(CC(C)(C)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate?
The InChIKey is JYDDRFGMCNJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-11-12-17(13-19(8,9)18(20)21-10)22-23(14(2)3,15(4)5)16(6)7/h11,14-17H,1,12-13H2,2-10H3.
What are the key properties of methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate?
methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate is sourced from PubChem (CID 15214222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).