[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate

C18H38O3Si2 — CID 11233669

IUPAC[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
SMILESC=C(C[C@H](CCOC(=O)C(C)(C)C)O[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-15(14-22(5,6)7)13-16(21-23(8,9)10)11-12-20-17(19)18(2,3)4/h16H,1,11-14H2,2-10H3/t16-/m0/s1
InChIKeyVCOVIAYGZMUTHH-INIZCTEOSA-N
MW358.67 g/mol
LogP5.47
Rot. Bonds9

About [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate

[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 11233669) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
PubChem CID11233669
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
SMILESC=C(C[C@H](CCOC(=O)C(C)(C)C)O[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-15(14-22(5,6)7)13-16(21-23(8,9)10)11-12-20-17(19)18(2,3)4/h16H,1,11-14H2,2-10H3/t16-/m0/s1
InChIKeyVCOVIAYGZMUTHH-INIZCTEOSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.47
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

(6R)-6-(Tert-butyldimethylsilyloxy)-8-pivaloyloxy-2-methyloct-2-ene
CID 101618229
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
Propan-2-yl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 141701184
[4-[Tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 173579927
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 10875838
[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate
CID 11189749
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 11224448
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 15442530
1-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
CID 46201682
[(3R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] butanoate
CID 46201683
[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate
CID 71489918
[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
CID 71504119

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate (CID 11233669) is [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate is C=C(C[C@H](CCOC(=O)C(C)(C)C)O[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is VCOVIAYGZMUTHH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-15(14-22(5,6)7)13-16(21-23(8,9)10)11-12-20-17(19)18(2,3)4/h16H,1,11-14H2,2-10H3/t16-/m0/s1.
What are the key properties of [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate?
[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 358.67 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11233669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).