[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate

C19H38O3Si — CID 102474247

IUPAC[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate
SMILESC=C[C@@H](CCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C19H38O3Si/c1-8-18(22-17(2)20)15-13-11-9-10-12-14-16-21-23(6,7)19(3,4)5/h8,18H,1,9-16H2,2-7H3/t18-/m0/s1
InChIKeyWTPILJWYLSOOAQ-SFHVURJKSA-N
MW342.60 g/mol
LogP5.86
Rot. Bonds12

About [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate

[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate (PubChem CID 102474247) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate
PubChem CID102474247
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate
SMILESC=C[C@@H](CCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C19H38O3Si/c1-8-18(22-17(2)20)15-13-11-9-10-12-14-16-21-23(6,7)19(3,4)5/h8,18H,1,9-16H2,2-7H3/t18-/m0/s1
InChIKeyWTPILJWYLSOOAQ-SFHVURJKSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.86
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

(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
CID 11619466
Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
Methyl (2e,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}hexadec-2-enoate
CID 129759001
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
9-[Tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
CID 135015661
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584

Frequently Asked Questions

What is the IUPAC name of [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate?
The IUPAC name of [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate (CID 102474247) is [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate.
What is the SMILES notation for [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate?
The canonical SMILES for [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate is C=C[C@@H](CCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate?
The InChIKey is WTPILJWYLSOOAQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-8-18(22-17(2)20)15-13-11-9-10-12-14-16-21-23(6,7)19(3,4)5/h8,18H,1,9-16H2,2-7H3/t18-/m0/s1.
What are the key properties of [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate?
[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate has a molecular weight of 342.60 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate is sourced from PubChem (CID 102474247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).