[tert-butyl(dimethyl)silyl] 4-methylpentanoate

C12H26O2Si — CID 554785

IUPAC[tert-butyl(dimethyl)silyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)8-9-11(13)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyKCUZKZNIAAGBOY-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.97
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 4-methylpentanoate

[tert-butyl(dimethyl)silyl] 4-methylpentanoate (PubChem CID 554785) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-methylpentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-methylpentanoate
PubChem CID554785
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name[tert-butyl(dimethyl)silyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)8-9-11(13)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyKCUZKZNIAAGBOY-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.97
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
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
Dipropylacetic acid, trimethylsilyl ester
CID 528656
Trimethylsilyl cyclobutanecarboxylate
CID 529210
4-Methylvaleric acid, trimethylsilyl ester
CID 554430

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4-methylpentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-methylpentanoate (CID 554785) is [tert-butyl(dimethyl)silyl] 4-methylpentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-methylpentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-methylpentanoate is CC(C)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-methylpentanoate?
The InChIKey is KCUZKZNIAAGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(2)8-9-11(13)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-methylpentanoate?
[tert-butyl(dimethyl)silyl] 4-methylpentanoate has a molecular weight of 230.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-methylpentanoate is sourced from PubChem (CID 554785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).