methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate

C17H34O3Si — CID 11056141

IUPACmethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
SMILESCOC(=O)C[C@@H](C)[C@@H](CC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)10-11-15(14(3)12-16(18)19-7)20-21(8,9)17(4,5)6/h10,14-15H,11-12H2,1-9H3/t14-,15-/m1/s1
InChIKeyYONYVIFXZQRFEG-HUUCEWRRSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds7

About methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate (PubChem CID 11056141) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
PubChem CID11056141
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
SMILESCOC(=O)C[C@@H](C)[C@@H](CC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)10-11-15(14(3)12-16(18)19-7)20-21(8,9)17(4,5)6/h10,14-15H,11-12H2,1-9H3/t14-,15-/m1/s1
InChIKeyYONYVIFXZQRFEG-HUUCEWRRSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
(R)-(+)-Citronellic acid, tert-butyldimethylsilyl ester
CID 91736184
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
CID 15214222
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)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 15921989
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
CID 102392364
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
methyl 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl]propanoate
CID 134955379

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate?
The IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate (CID 11056141) is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate.
What is the SMILES notation for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate?
The canonical SMILES for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate is COC(=O)C[C@@H](C)[C@@H](CC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate?
The InChIKey is YONYVIFXZQRFEG-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-13(2)10-11-15(14(3)12-16(18)19-7)20-21(8,9)17(4,5)6/h10,14-15H,11-12H2,1-9H3/t14-,15-/m1/s1.
What are the key properties of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate?
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate is sourced from PubChem (CID 11056141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).