methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate

C17H34O3Si — CID 15214226

IUPACmethyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
SMILESC=CCC(C)(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-10-11-17(8,12-16(18)19-9)20-21(13(2)3,14(4)5)15(6)7/h10,13-15H,1,11-12H2,2-9H3
InChIKeyKVKNJKUYEBAMMG-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds9

About methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate

methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate (PubChem CID 15214226) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
PubChem CID15214226
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
SMILESC=CCC(C)(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-10-11-17(8,12-16(18)19-9)20-21(13(2)3,14(4)5)15(6)7/h10,13-15H,1,11-12H2,2-9H3
InChIKeyKVKNJKUYEBAMMG-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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

[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
CID 10501315
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
methyl (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienoate
CID 10523078
ethyl (3S,4R)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
CID 12167547
ethyl (3R,4S)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
CID 102175483
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 171991602
ethyl (E,3S)-3-[diethyl(propan-2-yl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 177575637

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate?
The IUPAC name of methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate (CID 15214226) is methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate.
What is the SMILES notation for methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate?
The canonical SMILES for methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate is C=CCC(C)(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate?
The InChIKey is KVKNJKUYEBAMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-11-17(8,12-16(18)19-9)20-21(13(2)3,14(4)5)15(6)7/h10,13-15H,1,11-12H2,2-9H3.
What are the key properties of methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate?
methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate is sourced from PubChem (CID 15214226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).