trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate

C14H24O3Si2 — CID 528664

IUPACtrimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C14H24O3Si2/c1-11-8-9-12(14(15)17-19(5,6)7)13(10-11)16-18(2,3)4/h8-10H,1-7H3
InChIKeyWMMUZRDZZSRQEF-UHFFFAOYSA-N
MW296.51 g/mol
LogP4.20
Rot. Bonds4

About trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate

trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate (PubChem CID 528664) has the molecular formula C14H24O3Si2 and a molecular weight of 296.51 g/mol. Its IUPAC name is trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate.

Molecular Properties

Compound Nametrimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
PubChem CID528664
Molecular FormulaC14H24O3Si2
Molecular Weight296.51 g/mol
Exact Mass296.13
IUPAC Nametrimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
SMILESCc1ccc(C(=O)O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C14H24O3Si2/c1-11-8-9-12(14(15)17-19(5,6)7)13(10-11)16-18(2,3)4/h8-10H,1-7H3
InChIKeyWMMUZRDZZSRQEF-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 2-acetyloxy-4-methylbenzoate
CID 91734092
methyl 4-iodo-2-trimethylsilyloxybenzoate
CID 167737475
trimethylsilyl 2-methylbenzoate
CID 577266
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
CID 99976230
methanethiol;methyl 2-(dimethylaminooxy)-4-methylbenzoate
CID 144525219
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate
CID 145310758
trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate
CID 19890443
bis(trimethylsilyl) furan-2,5-dicarboxylate
CID 521626
2-(dimethylaminooxy)-4-methylbenzoic acid
CID 89183969
trimethylsilyl 2-(diazido-λ3-iodanyl)benzoate
CID 134967873

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate?
The IUPAC name of trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate (CID 528664) is trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate.
What is the SMILES notation for trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate?
The canonical SMILES for trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate is Cc1ccc(C(=O)O[Si](C)(C)C)c(O[Si](C)(C)C)c1.
What is the InChIKey of trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate?
The InChIKey is WMMUZRDZZSRQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si2/c1-11-8-9-12(14(15)17-19(5,6)7)13(10-11)16-18(2,3)4/h8-10H,1-7H3.
What are the key properties of trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate?
trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate has a molecular weight of 296.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate is sourced from PubChem (CID 528664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).