methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate

C14H30O3Si — CID 10659968

IUPACmethyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
SMILESCOC(=O)[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11(9-12(2)13(15)16-6)10-17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
InChIKeyPOAOTTUQBJXDQS-NWDGAFQWSA-N
MW274.48 g/mol
LogP3.84
Rot. Bonds6

About methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate

methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate (PubChem CID 10659968) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
PubChem CID10659968
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namemethyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
SMILESCOC(=O)[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11(9-12(2)13(15)16-6)10-17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
InChIKeyPOAOTTUQBJXDQS-NWDGAFQWSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate?
The IUPAC name of methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate (CID 10659968) is methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate.
What is the SMILES notation for methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate?
The canonical SMILES for methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate is COC(=O)[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate?
The InChIKey is POAOTTUQBJXDQS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11(9-12(2)13(15)16-6)10-17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1.
What are the key properties of methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate?
methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate has a molecular weight of 274.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate is sourced from PubChem (CID 10659968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).