methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate

C15H30O3Si — CID 134963638

IUPACmethyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate
SMILESCOC(=O)/C(C)=C/C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(9-10-13(2)14(16)17-6)11-18-19(7,8)15(3,4)5/h10,12H,9,11H2,1-8H3/b13-10+/t12-/m1/s1
InChIKeyPBOIAJBBAINRNM-GMCKNXKJSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds6

About methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate

methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate (PubChem CID 134963638) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate.

Molecular Properties

Compound Namemethyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate
PubChem CID134963638
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate
SMILESCOC(=O)/C(C)=C/C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(9-10-13(2)14(16)17-6)11-18-19(7,8)15(3,4)5/h10,12H,9,11H2,1-8H3/b13-10+/t12-/m1/s1
InChIKeyPBOIAJBBAINRNM-GMCKNXKJSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
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'}

Analyze methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate with MolForge

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Related Compounds

methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
Methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate
CID 10967995
methyl (S,E)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-4-methylhex-2-enoate
CID 11045268
(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one
CID 11129833
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
CID 13442959
CID 13442959
(e)-Ethyl 2,5-dimethylhex-2-enoate
CID 14170051
methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate
CID 14617537

Frequently Asked Questions

What is the IUPAC name of methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate?
The IUPAC name of methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate (CID 134963638) is methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate.
What is the SMILES notation for methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate?
The canonical SMILES for methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate is COC(=O)/C(C)=C/C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate?
The InChIKey is PBOIAJBBAINRNM-GMCKNXKJSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(9-10-13(2)14(16)17-6)11-18-19(7,8)15(3,4)5/h10,12H,9,11H2,1-8H3/b13-10+/t12-/m1/s1.
What are the key properties of methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate?
methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate is sourced from PubChem (CID 134963638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).