trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate

C19H44O3Si3 — CID 101121224

IUPACtrimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate
SMILESCCCCCCC[C@H](O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H44O3Si3/c1-11-12-13-14-15-16-17(21-24(5,6)7)18(23(2,3)4)19(20)22-25(8,9)10/h17-18H,11-16H2,1-10H3/t17-,18-/m0/s1
InChIKeyLZMZZOGQMQQNQR-ROUUACIJSA-N
MW404.82 g/mol
LogP6.65
Rot. Bonds12

About trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate

trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate (PubChem CID 101121224) has the molecular formula C19H44O3Si3 and a molecular weight of 404.82 g/mol. Its IUPAC name is trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate
PubChem CID101121224
Molecular FormulaC19H44O3Si3
Molecular Weight404.82 g/mol
Exact Mass404.26
IUPAC Nametrimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate
SMILESCCCCCCC[C@H](O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H44O3Si3/c1-11-12-13-14-15-16-17(21-24(5,6)7)18(23(2,3)4)19(20)22-25(8,9)10/h17-18H,11-16H2,1-10H3/t17-,18-/m0/s1
InChIKeyLZMZZOGQMQQNQR-ROUUACIJSA-N
XLogP6.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 56.65
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'}

Analyze trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate 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

trimethylsilyl 2-trimethylsilyloxyoctanoate
CID 91730031
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
CID 22211916
methyl 2-trimethylsilyloxyhexadecanoate
CID 524469
methyl (Z,5R)-2-hexyl-3,5-bis(trimethylsilyloxy)hexadec-3-enoate
CID 11432529
methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132
butyl 2-trimethylsilyloxypropanoate
CID 88549339
trimethyl-[(E,6S,9R)-9-trimethylsilyloxyoctadec-7-en-6-yl]oxysilane
CID 10025621
trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane
CID 10027087
trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane
CID 15113678
trimethylsilyl 8-methyltetradecanoate
CID 526098
trimethylsilyl 10-methyltricosanoate
CID 91747658

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate?
The IUPAC name of trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate (CID 101121224) is trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate.
What is the SMILES notation for trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate?
The canonical SMILES for trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate is CCCCCCC[C@H](O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate?
The InChIKey is LZMZZOGQMQQNQR-ROUUACIJSA-N. The full InChI is InChI=1S/C19H44O3Si3/c1-11-12-13-14-15-16-17(21-24(5,6)7)18(23(2,3)4)19(20)22-25(8,9)10/h17-18H,11-16H2,1-10H3/t17-,18-/m0/s1.
What are the key properties of trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate?
trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate has a molecular weight of 404.82 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate is sourced from PubChem (CID 101121224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).