butyl 2-trimethylsilyloxypropanoate

C10H22O3Si — CID 88549339

IUPACbutyl 2-trimethylsilyloxypropanoate
SMILESCCCCOC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-6-7-8-12-10(11)9(2)13-14(3,4)5/h9H,6-8H2,1-5H3
InChIKeyPBIPRWRDVASFHM-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.57
Rot. Bonds6

About butyl 2-trimethylsilyloxypropanoate

butyl 2-trimethylsilyloxypropanoate (PubChem CID 88549339) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is butyl 2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namebutyl 2-trimethylsilyloxypropanoate
PubChem CID88549339
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Namebutyl 2-trimethylsilyloxypropanoate
SMILESCCCCOC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-6-7-8-12-10(11)9(2)13-14(3,4)5/h9H,6-8H2,1-5H3
InChIKeyPBIPRWRDVASFHM-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylpropanoate;2-methylpropane
CID 157176975
butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate
CID 19922589
butyl 2-butylhexanoate;stannane
CID 172996715
butyl 2-trimethylsilyloxyethyl carbonate
CID 155712714
butyl 2-methyloctanoate
CID 54180722
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080
butyl 3-hydroxy-2-methylpropanoate
CID 14114440
butyl hydrogen carbonate
CID 157271096
hexyl 2-phosphanyloxypropanoate
CID 19783897
heptyl 2-ethoxypropanoate
CID 175702782
butyl 2-butoxy-3-hydroxybutanoate
CID 87978706
[dimethyl(propan-2-yl)silyl] octyl carbonate
CID 155712707

Frequently Asked Questions

What is the IUPAC name of butyl 2-trimethylsilyloxypropanoate?
The IUPAC name of butyl 2-trimethylsilyloxypropanoate (CID 88549339) is butyl 2-trimethylsilyloxypropanoate.
What is the SMILES notation for butyl 2-trimethylsilyloxypropanoate?
The canonical SMILES for butyl 2-trimethylsilyloxypropanoate is CCCCOC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of butyl 2-trimethylsilyloxypropanoate?
The InChIKey is PBIPRWRDVASFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-6-7-8-12-10(11)9(2)13-14(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of butyl 2-trimethylsilyloxypropanoate?
butyl 2-trimethylsilyloxypropanoate has a molecular weight of 218.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-trimethylsilyloxypropanoate is sourced from PubChem (CID 88549339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).