[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate

C20H40O5Si — CID 604412

IUPAC[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate
SMILESCCCCCC(=O)OCC(CO[Si](C)(C)C(C)(C)C(C)C)C(=O)OCC
InChIInChI=1S/C20H40O5Si/c1-9-11-12-13-18(21)24-14-17(19(22)23-10-2)15-25-26(7,8)20(5,6)16(3)4/h16-17H,9-15H2,1-8H3
InChIKeyMWIFBUMSDRFRJL-UHFFFAOYSA-N
MW388.62 g/mol
LogP4.95
Rot. Bonds13

About [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate

[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate (PubChem CID 604412) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate.

Molecular Properties

Compound Name[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate
PubChem CID604412
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate
SMILESCCCCCC(=O)OCC(CO[Si](C)(C)C(C)(C)C(C)C)C(=O)OCC
InChIInChI=1S/C20H40O5Si/c1-9-11-12-13-18(21)24-14-17(19(22)23-10-2)15-25-26(7,8)20(5,6)16(3)4/h16-17H,9-15H2,1-8H3
InChIKeyMWIFBUMSDRFRJL-UHFFFAOYSA-N
XLogP4.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Diethyl (3-(triethoxysilyl)propyl)malonate
CID 89698
[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
Trimethylsilyl 2-ethyl-2-{[(2-ethylbutanoyl)oxy]methyl}hexanoate
CID 91696533
1-O-ethyl 3-O-propyl 2-(4-trimethylsilyloxybutyl)propanedioate
CID 18335953
Diethyl 2-(1-triethoxysilylpropyl)propanedioate
CID 18764595
Dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
CID 57272697
3-[4-[[Dimethyl(propan-2-yl)silyl]oxy-dimethylsilyl]butanoyloxy]propyl 5-methylhexanoate
CID 57981655
Diethyl 2-(4-triethoxysilylbutyl)propanedioate
CID 88725781
methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate
CID 91866402
Diethyl 2-[3-tris(trimethylsilyloxy)silylpropyl]propanedioate
CID 92001970
6-Oxohexyl 3-di(propan-2-yl)silyloxy-3-methylbutanoate
CID 123799576
Diethyl 2-(4-trimethoxysilylbutyl)propanedioate
CID 139605977

Frequently Asked Questions

What is the IUPAC name of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate?
The IUPAC name of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate (CID 604412) is [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate.
What is the SMILES notation for [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate?
The canonical SMILES for [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate is CCCCCC(=O)OCC(CO[Si](C)(C)C(C)(C)C(C)C)C(=O)OCC.
What is the InChIKey of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate?
The InChIKey is MWIFBUMSDRFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-9-11-12-13-18(21)24-14-17(19(22)23-10-2)15-25-26(7,8)20(5,6)16(3)4/h16-17H,9-15H2,1-8H3.
What are the key properties of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate?
[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate has a molecular weight of 388.62 g/mol, XLogP of 4.95, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-ethoxy-3-oxopropyl] hexanoate is sourced from PubChem (CID 604412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).