[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate

C19H38O3Si — CID 135079804

IUPAC[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
SMILESC=C[C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-16(22-17(20)18(2,3)4)14-12-11-13-15-21-23(8,9)19(5,6)7/h10,16H,1,11-15H2,2-9H3/t16-/m0/s1
InChIKeyMJASRRVEZBLSPX-INIZCTEOSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds9

About [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate

[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate (PubChem CID 135079804) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
PubChem CID135079804
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
SMILESC=C[C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-16(22-17(20)18(2,3)4)14-12-11-13-15-21-23(8,9)19(5,6)7/h10,16H,1,11-15H2,2-9H3/t16-/m0/s1
InChIKeyMJASRRVEZBLSPX-INIZCTEOSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
9-[Tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
CID 135015661
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
(S)-8-((tert-butyldimethylsilyl)oxy)oct-1-en-4-yl acrylate
CID 145865225
[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
CID 10086198
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
[4-[Tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate
CID 123750845
7-[Tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
CID 139889078
[(2Z)-4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate
CID 140637648

Frequently Asked Questions

What is the IUPAC name of [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate (CID 135079804) is [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate is C=C[C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C.
What is the InChIKey of [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate?
The InChIKey is MJASRRVEZBLSPX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-16(22-17(20)18(2,3)4)14-12-11-13-15-21-23(8,9)19(5,6)7/h10,16H,1,11-15H2,2-9H3/t16-/m0/s1.
What are the key properties of [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate?
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 135079804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).