ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

C14H30O3Si — CID 101084181

IUPACethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCOC(=O)C[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-16-13(15)11-12(2)9-10-17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyQETODAOXSCFCLW-GFCCVEGCSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds7

About ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (PubChem CID 101084181) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
PubChem CID101084181
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCOC(=O)C[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-16-13(15)11-12(2)9-10-17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyQETODAOXSCFCLW-GFCCVEGCSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-(tert-butyl-dimethylsilyl)oxypentanoate
CID 11139432
methyl 3-(R)-methyl-5-(t-butyldimethylsilyloxy)pentanoate
CID 14234521
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentanoate
CID 11953529
ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate
CID 138984010
ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
CID 138984105
Ethyl 3-ethyl-2-trimethylsilylpentanoate
CID 145865785
Ethyl 3-methyl-2-trimethylsilylpentanoate
CID 145865786
Ethyl 3-ethyl-2-triethylsilylpentanoate
CID 145865788
ethyl (2S,3S)-3-ethyl-4-methyl-2-trimethylsilylpentanoate
CID 145865789
Valeric acid, 5-methoxy-, trimethylsilyl ester
CID 552611
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 11832609
5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
CID 14569496

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The IUPAC name of ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (CID 101084181) is ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.
What is the SMILES notation for ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The canonical SMILES for ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is CCOC(=O)C[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The InChIKey is QETODAOXSCFCLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-16-13(15)11-12(2)9-10-17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is sourced from PubChem (CID 101084181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).