4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate

C16H31O5Si- — CID 175684355

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate
SMILESCC(C)(C)OC(=O)CC(CCC(=O)[O-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-15(2,3)20-14(19)11-12(9-10-13(17)18)21-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3,(H,17,18)/p-1
InChIKeyUNHPYDFCOZCOBS-UHFFFAOYSA-M
MW331.51 g/mol
LogP2.64
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate

4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate (PubChem CID 175684355) has the molecular formula C16H31O5Si- and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate
PubChem CID175684355
Molecular FormulaC16H31O5Si-
Molecular Weight331.51 g/mol
Exact Mass331.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate
SMILESCC(C)(C)OC(=O)CC(CCC(=O)[O-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-15(2,3)20-14(19)11-12(9-10-13(17)18)21-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3,(H,17,18)/p-1
InChIKeyUNHPYDFCOZCOBS-UHFFFAOYSA-M
XLogP2.64
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate with MolForge

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Related Compounds

Methyl 3-triethylsilylperoxyhexanoate
CID 85612780
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
methyl (3R)-3-triethylsilyloxyhexanoate
CID 135041151
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 138964688
3-Hydroxyadipic acid, lacton, TMS
CID 526004
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
Ethyl 3-((tert-butyldimethylsilyl)oxy)hexanoate
CID 14264095
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-one
CID 49781982
5-[Tert-butyl(dimethyl)silyl]oxyoxepan-2-one
CID 86156584
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 90353226
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 90353227
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 90371787

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate (CID 175684355) is 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate is CC(C)(C)OC(=O)CC(CCC(=O)[O-])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate?
The InChIKey is UNHPYDFCOZCOBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)20-14(19)11-12(9-10-13(17)18)21-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3,(H,17,18)/p-1.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate?
4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate has a molecular weight of 331.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoate is sourced from PubChem (CID 175684355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).