methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate

C14H28O3Si — CID 141130143

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
SMILESC=CCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-8-9-10-11-12(13(15)16-5)17-18(6,7)14(2,3)4/h8,12H,1,9-11H2,2-7H3
InChIKeyVNJJOQURJUMHEH-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate

methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate (PubChem CID 141130143) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
PubChem CID141130143
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
SMILESC=CCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-8-9-10-11-12(13(15)16-5)17-18(6,7)14(2,3)4/h8,12H,1,9-11H2,2-7H3
InChIKeyVNJJOQURJUMHEH-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-tri(propan-2-yl)silyloxyhept-6-enoate
CID 10859994
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 10883940
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
methyl (2S,3S)-3-methoxy-5-methyl-2-triethylsilyloxyhex-5-enoate
CID 44206673
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 15599666
Methyl 2-methoxyhept-6-enoate
CID 141160735
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
CID 10735215
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
methyl (E,2R)-2-[tert-butyl(dimethyl)silyl]oxyhexadec-5-enoate
CID 60195515
Methyl (R)-2-[(tert-Butyldimethylsilyl)oxy]-4-pentenoate
CID 177816725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate (CID 141130143) is methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate is C=CCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The InChIKey is VNJJOQURJUMHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-9-10-11-12(13(15)16-5)17-18(6,7)14(2,3)4/h8,12H,1,9-11H2,2-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate is sourced from PubChem (CID 141130143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).