trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate

C24H54O4Si3 — CID 6425775

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

About trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate

trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate (PubChem CID 6425775) has the molecular formula C24H54O4Si3 and a molecular weight of 490.95 g/mol. Its IUPAC name is trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate
PubChem CID6425775
Molecular FormulaC24H54O4Si3
Molecular Weight490.95 g/mol
Exact Mass490.33
IUPAC Nametrimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate
SMILESCC(C)CCCC(C)CCC(O[Si](C)(C)C)C(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-20(2)15-14-16-21(3)17-18-22(26-29(5,6)7)24(4,28-31(11,12)13)19-23(25)27-30(8,9)10/h20-22H,14-19H2,1-13H3
InChIKeyASYZCRSOHUXVFD-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'}

Analyze trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,4S,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylheptanoate
CID 154722516
2,3-Bis(trimethylsilyloxy)-4-methyloctanoic acid methyl ester
CID 129717592
Glycerol, mono-(14-methyleicosanoate), bis-TMS
CID 91747626
Glycerol, mono-(14-methylheptadecanoate), bis-TMS
CID 91747627
Glycerol, mono-(14-methylhexadecanoate), bis-TMS
CID 91747628
Glycerol, mono-(2,14-dimethylhexadecanoate), bis-TMS
CID 91747629
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, 7,11-dimethyl-3-trimethylsilyloxy-3-trimethylsilyloxymethyl-, trimethylsilyl ester
CID 6421185
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

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate?
The IUPAC name of trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate (CID 6425775) is trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate.
What is the SMILES notation for trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate?
The canonical SMILES for trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate is CC(C)CCCC(C)CCC(O[Si](C)(C)C)C(C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate?
The InChIKey is ASYZCRSOHUXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si3/c1-20(2)15-14-16-21(3)17-18-22(26-29(5,6)7)24(4,28-31(11,12)13)19-23(25)27-30(8,9)10/h20-22H,14-19H2,1-13H3.
What are the key properties of trimethylsilyl 3,7,11-trimethyl-3,4-bis(trimethylsilyloxy)dodecanoate?
trimethylsilyl 3,7,11-trimethyl-3,4-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-3,4-bis(trimethylsilyloxy)dodecanoate is sourced from PubChem (CID 6425775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).