methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate

C13H26O3Si — CID 11379901

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
SMILESCOC(=O)/C(C)=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(12(14)15-5)9-8-10-16-17(6,7)13(2,3)4/h9H,8,10H2,1-7H3/b11-9+
InChIKeyZRVAMSNESJNARU-PKNBQFBNSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds5

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate (PubChem CID 11379901) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
PubChem CID11379901
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
SMILESCOC(=O)/C(C)=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(12(14)15-5)9-8-10-16-17(6,7)13(2,3)4/h9H,8,10H2,1-7H3/b11-9+
InChIKeyZRVAMSNESJNARU-PKNBQFBNSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-4-fluoropent-3-enoxy]-dimethylsilane
CID 59072765
methyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-methylhepta-2,6-dienoate
CID 10831056
methyl 2-methylhepta-2,6-dienoate
CID 54478570
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
CID 10319406
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl 4-(tert-butylamino)-2-methylbut-2-enoate
CID 103728179
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
methyl 5-amino-2-methylpent-2-enoate
CID 57069789
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
CID 11580515
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate
CID 42643343

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate (CID 11379901) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate is COC(=O)/C(C)=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate?
The InChIKey is ZRVAMSNESJNARU-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(12(14)15-5)9-8-10-16-17(6,7)13(2,3)4/h9H,8,10H2,1-7H3/b11-9+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate is sourced from PubChem (CID 11379901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).