methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate

C15H28O4Si — CID 52920678

IUPACmethyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate
SMILESCOC(=O)/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C15H28O4Si/c1-11(14(17)18-6)9-10-13(12(2)16)19-20(7,8)15(3,4)5/h9,13H,10H2,1-8H3/b11-9-/t13-/m0/s1
InChIKeyBOZDXRDHSKRFRT-FUWURINLSA-N
MW300.47 g/mol
LogP3.48
Rot. Bonds6

About methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate

methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate (PubChem CID 52920678) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate.

Molecular Properties

Compound Namemethyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate
PubChem CID52920678
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate
SMILESCOC(=O)/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C15H28O4Si/c1-11(14(17)18-6)9-10-13(12(2)16)19-20(7,8)15(3,4)5/h9,13H,10H2,1-8H3/b11-9-/t13-/m0/s1
InChIKeyBOZDXRDHSKRFRT-FUWURINLSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 11097260
dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate
CID 11522999
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate
CID 15224155
methyl (2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienoate
CID 42599690
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxohex-2-enoate
CID 46189512
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
2-Hexenoic acid, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester, (E)-(+/-)-
CID 5368148
4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate
CID 123887213
ethyl (E,4R,5R)-4-methyl-6-oxo-5-tri(propan-2-yl)silyloxyhept-2-enoate
CID 140220369
ethyl (2E,5R,6Z)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienoate
CID 144993705
3-Trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
CID 150162581
3-[Dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
CID 151098780

Frequently Asked Questions

What is the IUPAC name of methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate?
The IUPAC name of methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate (CID 52920678) is methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate.
What is the SMILES notation for methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate?
The canonical SMILES for methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate is COC(=O)/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate?
The InChIKey is BOZDXRDHSKRFRT-FUWURINLSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-11(14(17)18-6)9-10-13(12(2)16)19-20(7,8)15(3,4)5/h9,13H,10H2,1-8H3/b11-9-/t13-/m0/s1.
What are the key properties of methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate?
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate is sourced from PubChem (CID 52920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).