tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate

C22H44O3Si — CID 11825173

IUPACtert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate
SMILESCC(CCCCCC/C=C/CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-19(25-26(8,9)22(5,6)7)17-15-13-11-10-12-14-16-18-20(23)24-21(2,3)4/h14,16,19H,10-13,15,17-18H2,1-9H3/b16-14+
InChIKeyQYNDMGHFDFGLNC-JQIJEIRASA-N
MW384.68 g/mol
LogP7.03
Rot. Bonds11

About tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate

tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate (PubChem CID 11825173) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate.

Molecular Properties

Compound Nametert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate
PubChem CID11825173
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Nametert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate
SMILESCC(CCCCCC/C=C/CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-19(25-26(8,9)22(5,6)7)17-15-13-11-10-12-14-16-18-20(23)24-21(2,3)4/h14,16,19H,10-13,15,17-18H2,1-9H3/b16-14+
InChIKeyQYNDMGHFDFGLNC-JQIJEIRASA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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

(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
CID 11623556
(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one
CID 11727960
Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-oxodec-3-enoate
CID 135014328
9-Trimethylsilyloxy-12-octadecenoic acid, methyl ester
CID 5366460
16-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6421149
15-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6421153
Hexadec-9-enoic acid, 7-tert-butyldimethylsilyloxy-, methyl ester
CID 6421210
17-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6422343
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate?
The IUPAC name of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate (CID 11825173) is tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate.
What is the SMILES notation for tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate?
The canonical SMILES for tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate is CC(CCCCCC/C=C/CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate?
The InChIKey is QYNDMGHFDFGLNC-JQIJEIRASA-N. The full InChI is InChI=1S/C22H44O3Si/c1-19(25-26(8,9)22(5,6)7)17-15-13-11-10-12-14-16-18-20(23)24-21(2,3)4/h14,16,19H,10-13,15,17-18H2,1-9H3/b16-14+.
What are the key properties of tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate?
tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate has a molecular weight of 384.68 g/mol, XLogP of 7.03, 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]oxydodec-3-enoate is sourced from PubChem (CID 11825173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).