methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate

C12H26O3Si — CID 14280328

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyVPJHHKFCFYZOAN-JTQLQIEISA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds5

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 14280328) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID14280328
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyVPJHHKFCFYZOAN-JTQLQIEISA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
Methyl 2-methyl-3-[(trimethylsilyl)oxy]cyclopropane-1-carboxylate
CID 11447018
4-Ethyl-3-trimethylsilyloxetan-2-one
CID 327320
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
CID 58567250
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoate
CID 140438619

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 14280328) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is VPJHHKFCFYZOAN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 14280328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).