[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate

C22H44O3Si — CID 102173041

IUPAC[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate
SMILESC=C[C@H](CCCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C22H44O3Si/c1-8-21(25-20(2)23)18-16-14-12-10-9-11-13-15-17-19-24-26(6,7)22(3,4)5/h8,21H,1,9-19H2,2-7H3/t21-/m1/s1
InChIKeyNFRGEFRXSAESLY-OAQYLSRUSA-N
MW384.68 g/mol
LogP7.03
Rot. Bonds15

About [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate

[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate (PubChem CID 102173041) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate
PubChem CID102173041
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate
SMILESC=C[C@H](CCCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C22H44O3Si/c1-8-21(25-20(2)23)18-16-14-12-10-9-11-13-15-17-19-24-26(6,7)22(3,4)5/h8,21H,1,9-19H2,2-7H3/t21-/m1/s1
InChIKeyNFRGEFRXSAESLY-OAQYLSRUSA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 57.03
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 [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate?
The IUPAC name of [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate (CID 102173041) is [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate.
What is the SMILES notation for [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate?
The canonical SMILES for [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate is C=C[C@H](CCCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate?
The InChIKey is NFRGEFRXSAESLY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-8-21(25-20(2)23)18-16-14-12-10-9-11-13-15-17-19-24-26(6,7)22(3,4)5/h8,21H,1,9-19H2,2-7H3/t21-/m1/s1.
What are the key properties of [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate?
[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate has a molecular weight of 384.68 g/mol, XLogP of 7.03, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate is sourced from PubChem (CID 102173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).