trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate

C24H54O4Si3 — CID 6421177

IUPACtrimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate
SMILESCC(C)CCCC(C)CCCC(C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-20(2)16-14-17-21(3)18-15-19-24(4,28-31(11,12)13)22(26-29(5,6)7)23(25)27-30(8,9)10/h20-22H,14-19H2,1-13H3
InChIKeyMCSKDLWGPHNPIJ-UHFFFAOYSA-N
MW490.95 g/mol
LogP7.83
Rot. Bonds15

About trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate

trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate (PubChem CID 6421177) has the molecular formula C24H54O4Si3 and a molecular weight of 490.95 g/mol. Its IUPAC name is trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate
PubChem CID6421177
Molecular FormulaC24H54O4Si3
Molecular Weight490.95 g/mol
Exact Mass490.33
IUPAC Nametrimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate
SMILESCC(C)CCCC(C)CCCC(C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-20(2)16-14-17-21(3)18-15-19-24(4,28-31(11,12)13)22(26-29(5,6)7)23(25)27-30(8,9)10/h20-22H,14-19H2,1-13H3
InChIKeyMCSKDLWGPHNPIJ-UHFFFAOYSA-N
XLogP7.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate?
The IUPAC name of trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate (CID 6421177) is trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate.
What is the SMILES notation for trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate?
The canonical SMILES for trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate is CC(C)CCCC(C)CCCC(C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate?
The InChIKey is MCSKDLWGPHNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si3/c1-20(2)16-14-17-21(3)18-15-19-24(4,28-31(11,12)13)22(26-29(5,6)7)23(25)27-30(8,9)10/h20-22H,14-19H2,1-13H3.
What are the key properties of trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate?
trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate has a molecular weight of 490.95 g/mol, XLogP of 7.83, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)dodecanoate is sourced from PubChem (CID 6421177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).