trimethylsilyl 4-methylpentanoate

C9H20O2Si — CID 554430

IUPACtrimethylsilyl 4-methylpentanoate
SMILESCC(C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h8H,6-7H2,1-5H3
InChIKeyUMRHTNKGONZNDQ-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.80
Rot. Bonds4

About trimethylsilyl 4-methylpentanoate

trimethylsilyl 4-methylpentanoate (PubChem CID 554430) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is trimethylsilyl 4-methylpentanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-methylpentanoate
PubChem CID554430
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nametrimethylsilyl 4-methylpentanoate
SMILESCC(C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h8H,6-7H2,1-5H3
InChIKeyUMRHTNKGONZNDQ-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.80
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

Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
Valeric acid, trimethylsilyl ester
CID 520262
2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
tert-Butyl(dimethyl)silyl pentanoate
CID 528100
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
4-Methylvaleric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91694224
Trimethylsilyl 2-methylbutanoate
CID 521654
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Pentanoic acid, triethylsilyl ester
CID 604415
Pentanoic acid, tripropylsilyl ester
CID 611964
Trimethylsilyl cyclopentanecarboxylate
CID 522818
Dipropylacetic acid, trimethylsilyl ester
CID 528656

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methylpentanoate?
The IUPAC name of trimethylsilyl 4-methylpentanoate (CID 554430) is trimethylsilyl 4-methylpentanoate.
What is the SMILES notation for trimethylsilyl 4-methylpentanoate?
The canonical SMILES for trimethylsilyl 4-methylpentanoate is CC(C)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-methylpentanoate?
The InChIKey is UMRHTNKGONZNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of trimethylsilyl 4-methylpentanoate?
trimethylsilyl 4-methylpentanoate has a molecular weight of 188.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-methylpentanoate is sourced from PubChem (CID 554430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).