trimethylsilyl 2,3,4-trimethylpentanoate

C11H24O2Si — CID 553022

IUPACtrimethylsilyl 2,3,4-trimethylpentanoate
SMILESCC(C)C(C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8(2)9(3)10(4)11(12)13-14(5,6)7/h8-10H,1-7H3
InChIKeyUOQOUWOYMBASAO-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.29
Rot. Bonds4

About trimethylsilyl 2,3,4-trimethylpentanoate

trimethylsilyl 2,3,4-trimethylpentanoate (PubChem CID 553022) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is trimethylsilyl 2,3,4-trimethylpentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3,4-trimethylpentanoate
PubChem CID553022
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametrimethylsilyl 2,3,4-trimethylpentanoate
SMILESCC(C)C(C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8(2)9(3)10(4)11(12)13-14(5,6)7/h8-10H,1-7H3
InChIKeyUOQOUWOYMBASAO-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Trimethylsilyl cyclopentanecarboxylate
CID 522818
Dipropylacetic acid, trimethylsilyl ester
CID 528656
Trimethylsilyl cyclobutanecarboxylate
CID 529210
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
Trimethylsilyl 2-ethylbutanoate
CID 13813130
2-Ketoisocaproic acid, trimethylsilyl ester
CID 552379
4-Methylvaleric acid, tert-butyldimethylsilyl ester
CID 554785
3-Methyl-2-oxovaleric acid, TMS derivative
CID 86150055
Trimethylsilyl 3-methylvalerate
CID 91697307

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3,4-trimethylpentanoate?
The IUPAC name of trimethylsilyl 2,3,4-trimethylpentanoate (CID 553022) is trimethylsilyl 2,3,4-trimethylpentanoate.
What is the SMILES notation for trimethylsilyl 2,3,4-trimethylpentanoate?
The canonical SMILES for trimethylsilyl 2,3,4-trimethylpentanoate is CC(C)C(C)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3,4-trimethylpentanoate?
The InChIKey is UOQOUWOYMBASAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8(2)9(3)10(4)11(12)13-14(5,6)7/h8-10H,1-7H3.
What are the key properties of trimethylsilyl 2,3,4-trimethylpentanoate?
trimethylsilyl 2,3,4-trimethylpentanoate has a molecular weight of 216.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3,4-trimethylpentanoate is sourced from PubChem (CID 553022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).