[diethyl(methyl)silyl] 4-methylpentanoate

C11H24O2Si — CID 170849347

IUPAC[diethyl(methyl)silyl] 4-methylpentanoate
SMILESCC[Si](C)(CC)OC(=O)CCC(C)C
InChIInChI=1S/C11H24O2Si/c1-6-14(5,7-2)13-11(12)9-8-10(3)4/h10H,6-9H2,1-5H3
InChIKeyWKAIPQNWUOIOTI-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.58
Rot. Bonds6

About [diethyl(methyl)silyl] 4-methylpentanoate

[diethyl(methyl)silyl] 4-methylpentanoate (PubChem CID 170849347) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is [diethyl(methyl)silyl] 4-methylpentanoate.

Molecular Properties

Compound Name[diethyl(methyl)silyl] 4-methylpentanoate
PubChem CID170849347
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name[diethyl(methyl)silyl] 4-methylpentanoate
SMILESCC[Si](C)(CC)OC(=O)CCC(C)C
InChIInChI=1S/C11H24O2Si/c1-6-14(5,7-2)13-11(12)9-8-10(3)4/h10H,6-9H2,1-5H3
InChIKeyWKAIPQNWUOIOTI-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.58
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 [diethyl(methyl)silyl] 4-methylpentanoate?
The IUPAC name of [diethyl(methyl)silyl] 4-methylpentanoate (CID 170849347) is [diethyl(methyl)silyl] 4-methylpentanoate.
What is the SMILES notation for [diethyl(methyl)silyl] 4-methylpentanoate?
The canonical SMILES for [diethyl(methyl)silyl] 4-methylpentanoate is CC[Si](C)(CC)OC(=O)CCC(C)C.
What is the InChIKey of [diethyl(methyl)silyl] 4-methylpentanoate?
The InChIKey is WKAIPQNWUOIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-14(5,7-2)13-11(12)9-8-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of [diethyl(methyl)silyl] 4-methylpentanoate?
[diethyl(methyl)silyl] 4-methylpentanoate has a molecular weight of 216.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl(methyl)silyl] 4-methylpentanoate is sourced from PubChem (CID 170849347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).