methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate

C17H34O3Si — CID 139263495

IUPACmethyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
SMILESCCCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C17H34O3Si/c1-9-10-11-15(16(18)19-6)13-12-14(2)20-21(7,8)17(3,4)5/h12-15H,9-11H2,1-8H3/b13-12+
InChIKeyFFFLPWYGWOOPRL-OUKQBFOZSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds8

About methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate

methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate (PubChem CID 139263495) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
PubChem CID139263495
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
SMILESCCCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C17H34O3Si/c1-9-10-11-15(16(18)19-6)13-12-14(2)20-21(7,8)17(3,4)5/h12-15H,9-11H2,1-8H3/b13-12+
InChIKeyFFFLPWYGWOOPRL-OUKQBFOZSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.93
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

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
(13s,9e,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 129703585
ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 11109321
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 11380222
(13s,9z,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 12988293
methyl (E,2R,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720960
methyl (E,2S,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720961
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 15921989
[(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-yl] oct-6-ynoate
CID 49836105

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate?
The IUPAC name of methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate (CID 139263495) is methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate.
What is the SMILES notation for methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate?
The canonical SMILES for methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate is CCCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate?
The InChIKey is FFFLPWYGWOOPRL-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-10-11-15(16(18)19-6)13-12-14(2)20-21(7,8)17(3,4)5/h12-15H,9-11H2,1-8H3/b13-12+.
What are the key properties of methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate?
methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate is sourced from PubChem (CID 139263495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).