[dimethyl(2-methylpropyl)silyl] pentanoate

C11H24O2Si — CID 57143597

IUPAC[dimethyl(2-methylpropyl)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)CC(C)C
InChIInChI=1S/C11H24O2Si/c1-6-7-8-11(12)13-14(4,5)9-10(2)3/h10H,6-9H2,1-5H3
InChIKeyWZFGQNWCWRPLHY-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.58
Rot. Bonds6

About [dimethyl(2-methylpropyl)silyl] pentanoate

[dimethyl(2-methylpropyl)silyl] pentanoate (PubChem CID 57143597) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is [dimethyl(2-methylpropyl)silyl] pentanoate.

Molecular Properties

Compound Name[dimethyl(2-methylpropyl)silyl] pentanoate
PubChem CID57143597
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name[dimethyl(2-methylpropyl)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)CC(C)C
InChIInChI=1S/C11H24O2Si/c1-6-7-8-11(12)13-14(4,5)9-10(2)3/h10H,6-9H2,1-5H3
InChIKeyWZFGQNWCWRPLHY-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
Butyl triethylsilyl acetate
CID 125473299
4-Methylvaleric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91694224
Trimethylsilyl 2-methylbutanoate
CID 521654
Butanoic acid, triethylsilyl ester
CID 599320
Pentanoic acid, triethylsilyl ester
CID 604415
Pentanoic acid, tripropylsilyl ester
CID 611964
Butanoic acid, DMTBS
CID 528096
Trimethylsilyl cyclobutanecarboxylate
CID 529210

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-methylpropyl)silyl] pentanoate?
The IUPAC name of [dimethyl(2-methylpropyl)silyl] pentanoate (CID 57143597) is [dimethyl(2-methylpropyl)silyl] pentanoate.
What is the SMILES notation for [dimethyl(2-methylpropyl)silyl] pentanoate?
The canonical SMILES for [dimethyl(2-methylpropyl)silyl] pentanoate is CCCCC(=O)O[Si](C)(C)CC(C)C.
What is the InChIKey of [dimethyl(2-methylpropyl)silyl] pentanoate?
The InChIKey is WZFGQNWCWRPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-7-8-11(12)13-14(4,5)9-10(2)3/h10H,6-9H2,1-5H3.
What are the key properties of [dimethyl(2-methylpropyl)silyl] pentanoate?
[dimethyl(2-methylpropyl)silyl] pentanoate 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 [dimethyl(2-methylpropyl)silyl] pentanoate is sourced from PubChem (CID 57143597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).