methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

C13H28O3Si — CID 11737070

IUPACmethyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCOC(=O)CC[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(8-9-12(14)15-5)10-16-17(6,7)13(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyIUVHIAHXGYTENE-NSHDSACASA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds6

About methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (PubChem CID 11737070) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
PubChem CID11737070
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCOC(=O)CC[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(8-9-12(14)15-5)10-16-17(6,7)13(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyIUVHIAHXGYTENE-NSHDSACASA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
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 (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726772
methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate
CID 87060376
methyl (4S,5S,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyheptanoate
CID 24828635
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
dimethyl 4-methylheptanedioate
CID 521222
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate
CID 23253285
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The IUPAC name of methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (CID 11737070) is methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.
What is the SMILES notation for methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The canonical SMILES for methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is COC(=O)CC[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The InChIKey is IUVHIAHXGYTENE-NSHDSACASA-N. The full InChI is InChI=1S/C13H28O3Si/c1-11(8-9-12(14)15-5)10-16-17(6,7)13(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is sourced from PubChem (CID 11737070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).