tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate

C21H42O3Si — CID 24859311

IUPACtert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-20(2,3)24-19(22)17-15-13-11-9-10-12-14-16-18-23-25(7,8)21(4,5)6/h15,17H,9-14,16,18H2,1-8H3/b17-15+
InChIKeyOUZQFOONRDUJAG-BMRADRMJSA-N
MW370.65 g/mol
LogP6.64
Rot. Bonds11

About tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate

tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate (PubChem CID 24859311) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate
PubChem CID24859311
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-20(2,3)24-19(22)17-15-13-11-9-10-12-14-16-18-23-25(7,8)21(4,5)6/h15,17H,9-14,16,18H2,1-8H3/b17-15+
InChIKeyOUZQFOONRDUJAG-BMRADRMJSA-N
XLogP6.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.64
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Caprylyl Eicosenoate
CID 76962468
Hexadecyl tetradec-2-enoate
CID 71404585
Tetradecyl tetradec-2-enoate
CID 71404583
Tetradecyl hexadec-2-enoate
CID 71404584
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
Undecyl undec-2-enoate
CID 87302706
Undecyl decenoate
CID 123615219
Decyl octadecenoate
CID 129866608
Dodecyl undec-2-enoate
CID 88320042
Ethyl 12,12,12-trifluoro-11-methyl-11-triethylsilyloxydodeca-2,9-dienoate
CID 141012783
2-Heptenoic acid, tetradecyl ester
CID 91713288
2-Heptenoic acid, pentadecyl ester
CID 91713289

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate?
The IUPAC name of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate (CID 24859311) is tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate.
What is the SMILES notation for tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate?
The canonical SMILES for tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate is CC(C)(C)OC(=O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate?
The InChIKey is OUZQFOONRDUJAG-BMRADRMJSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-20(2,3)24-19(22)17-15-13-11-9-10-12-14-16-18-23-25(7,8)21(4,5)6/h15,17H,9-14,16,18H2,1-8H3/b17-15+.
What are the key properties of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate?
tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate has a molecular weight of 370.65 g/mol, XLogP of 6.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoate is sourced from PubChem (CID 24859311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).