trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate

C22H44O2Si — CID 101242202

IUPACtrimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
SMILESC/C(=C\CCC(C)CCCC(C)CCCC(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-18(2)12-9-13-19(3)14-10-15-20(4)16-11-17-21(5)22(23)24-25(6,7)8/h17-20H,9-16H2,1-8H3/b21-17+
InChIKeyABCAAWJJMFNRNE-HEHNFIMWSA-N
MW368.68 g/mol
LogP7.36
Rot. Bonds13

About trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate

trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate (PubChem CID 101242202) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
PubChem CID101242202
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Nametrimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
SMILESC/C(=C\CCC(C)CCCC(C)CCCC(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-18(2)12-9-13-19(3)14-10-15-20(4)16-11-17-21(5)22(23)24-25(6,7)8/h17-20H,9-16H2,1-8H3/b21-17+
InChIKeyABCAAWJJMFNRNE-HEHNFIMWSA-N
XLogP7.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242201
2,6,10-trimethylundec-2-ene
CID 14805750
ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
CID 21437612
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
CID 71372083
tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
CID 101496063
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc
CID 157230765
methyl 2-methyl-4-(6-methylheptan-2-ylamino)but-2-enoate
CID 103247233
[3-[3-[3-[3-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 2,6,10-trimethyldodec-2-enoate
CID 162886907
trimethylsilyl 17-methyloctadecanoate
CID 91752780

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
The IUPAC name of trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate (CID 101242202) is trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
The canonical SMILES for trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate is C/C(=C\CCC(C)CCCC(C)CCCC(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
The InChIKey is ABCAAWJJMFNRNE-HEHNFIMWSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-18(2)12-9-13-19(3)14-10-15-20(4)16-11-17-21(5)22(23)24-25(6,7)8/h17-20H,9-16H2,1-8H3/b21-17+.
What are the key properties of trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate has a molecular weight of 368.68 g/mol, XLogP of 7.36, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate is sourced from PubChem (CID 101242202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).