trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate

C24H54O4Si3 — CID 6421185

IUPACtrimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate
SMILESCC(C)CCCC(C)CCCC(CO[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-21(2)15-13-16-22(3)17-14-18-24(28-31(10,11)12,20-26-29(4,5)6)19-23(25)27-30(7,8)9/h21-22H,13-20H2,1-12H3
InChIKeyRHUJESKQFXYVEQ-UHFFFAOYSA-N
MW490.95 g/mol
LogP7.83
Rot. Bonds16

About trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate

trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate (PubChem CID 6421185) has the molecular formula C24H54O4Si3 and a molecular weight of 490.95 g/mol. Its IUPAC name is trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate
PubChem CID6421185
Molecular FormulaC24H54O4Si3
Molecular Weight490.95 g/mol
Exact Mass490.33
IUPAC Nametrimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate
SMILESCC(C)CCCC(C)CCCC(CO[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-21(2)15-13-16-22(3)17-14-18-24(28-31(10,11)12,20-26-29(4,5)6)19-23(25)27-30(7,8)9/h21-22H,13-20H2,1-12H3
InChIKeyRHUJESKQFXYVEQ-UHFFFAOYSA-N
XLogP7.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
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'}

Analyze trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate with MolForge

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Related Compounds

Decanoic acid, 3-hydroxy-4-methyl, TBDMS, #1
CID 91753824
Dodecanoic acid, 3,7,11-trimethyl-2,3-bis(trimethylsilyloxy)-, trimethylsilyl ester
CID 6421177
Dodecanoic acid, 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)-,trimethylsilyl ester
CID 6425775
Tridecanoic acid, 4,8,12-trimethyl-3,4-bis(trimethylsilyloxy)-, methyl ester
CID 6426037
Trimethylsilyl 10-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91719422
Trimethylsilyl 11-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91719423
Trimethylsilyl 12-methyl-3-(trimethylsilyloxy)tridecanoate
CID 91719424
Trimethylsilyl 13-methyl-3-(trimethylsilyloxy)tetradecanoate
CID 91736906
Trimethylsilyl 12-methyl-3-(trimethylsilyloxy)tetradecanoate
CID 91736907
Trimethylsilyl 3,7,11,15-tetramethyl-3-trimethylsilyloxyhexadecanoate
CID 91738308
Methyl 10-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91741657
Methyl 12-methyl-3-(trimethylsilyloxy)tetradecanoate
CID 91742821

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate?
The IUPAC name of trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate (CID 6421185) is trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate.
What is the SMILES notation for trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate?
The canonical SMILES for trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate is CC(C)CCCC(C)CCCC(CO[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate?
The InChIKey is RHUJESKQFXYVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si3/c1-21(2)15-13-16-22(3)17-14-18-24(28-31(10,11)12,20-26-29(4,5)6)19-23(25)27-30(7,8)9/h21-22H,13-20H2,1-12H3.
What are the key properties of trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate?
trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate has a molecular weight of 490.95 g/mol, XLogP of 7.83, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7,11-dimethyl-3-trimethylsilyloxy-3-(trimethylsilyloxymethyl)dodecanoate is sourced from PubChem (CID 6421185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).