ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate

C18H38O4Si — CID 10545575

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate
SMILESCCOC(=O)C(C)(CCCCO[Si](C)(C)C(C)(C)C)C(C)(C)O
InChIInChI=1S/C18H38O4Si/c1-10-21-15(19)18(7,17(5,6)20)13-11-12-14-22-23(8,9)16(2,3)4/h20H,10-14H2,1-9H3
InChIKeyUCHVNNYFNZGMEQ-UHFFFAOYSA-N
MW346.58 g/mol
LogP4.52
Rot. Bonds9

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate (PubChem CID 10545575) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate
PubChem CID10545575
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate
SMILESCCOC(=O)C(C)(CCCCO[Si](C)(C)C(C)(C)C)C(C)(C)O
InChIInChI=1S/C18H38O4Si/c1-10-21-15(19)18(7,17(5,6)20)13-11-12-14-22-23(8,9)16(2,3)4/h20H,10-14H2,1-9H3
InChIKeyUCHVNNYFNZGMEQ-UHFFFAOYSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid
CID 58282926
6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate
CID 59383603
tert-butyl (3S,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-3,4,4,6,8-pentamethyl-5-oxononanoate
CID 60018689
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethylpropanoyloxy)decyl]hexacosanoic acid
CID 89159140
2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethylpropanoyloxy)decyl]hexacosanoic acid
CID 89159141
2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-19-[(1S,2R)-2-[(2S,18S,19S)-18-methoxy-19-methylheptatriacontan-2-yl]cyclopropyl]nonadecyl]-2-methylhexacosanoic acid
CID 90117240
tert-butyl (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-3,4,4,6,8-pentamethyl-5-oxononanoate
CID 91551569
3-[4,5,6,8,8-Pentamethyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylnonanoyl]oxypropanoic acid
CID 130177748
Ethyl 2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoate;9-hydroxy-3-methylnonan-2-one
CID 161005334
Ethyl 7-[2-(2-hydroxypropan-2-yl)-2-methylpentanoyl]oxy-6,6,7-trimethyloctanoate
CID 167138943
Bis[[4,4-dimethylpentyl(dimethyl)silyl]oxy]-dimethylsilane;[3-(3-hydroxy-4,5,5-trimethylhexanoyl)oxy-2-[(3-hydroxy-4,5,5-trimethylhexanoyl)oxymethyl]-2-methylpropyl] 3-hydroxy-4,5,5-trimethylhexanoate
CID 167557761
2-Tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-triethoxysilylpentanoic acid
CID 173737477

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate (CID 10545575) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate is CCOC(=O)C(C)(CCCCO[Si](C)(C)C(C)(C)C)C(C)(C)O.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate?
The InChIKey is UCHVNNYFNZGMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-10-21-15(19)18(7,17(5,6)20)13-11-12-14-22-23(8,9)16(2,3)4/h20H,10-14H2,1-9H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate has a molecular weight of 346.58 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropan-2-yl)-2-methylhexanoate is sourced from PubChem (CID 10545575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).