methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate

C16H32O4Si — CID 135013074

IUPACmethyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
SMILESCOC(=O)CC1CCC[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)19-11-10-13-8-7-9-14(20-13)12-15(17)18-4/h13-14H,7-12H2,1-6H3/t13-,14?/m1/s1
InChIKeyQOBIPNOOPYDPRF-KWCCSABGSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds6

About methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate

methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate (PubChem CID 135013074) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
PubChem CID135013074
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namemethyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
SMILESCOC(=O)CC1CCC[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)19-11-10-13-8-7-9-14(20-13)12-15(17)18-4/h13-14H,7-12H2,1-6H3/t13-,14?/m1/s1
InChIKeyQOBIPNOOPYDPRF-KWCCSABGSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate with MolForge

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Related Compounds

2H-Pyran-2-acetic acid, tetrahydro-6-tridecyl-, methyl ester
CID 5273616
methyl 2-[(2R,6R)-6-tridecyloxan-2-yl]acetate
CID 162870264
Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
Glycerol, 1,3-dicaprinate, 2-OTMS
CID 91751330
Glycerol, 1-caproate-3-caprinate, 2-OTMS
CID 91751332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate (CID 135013074) is methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate is COC(=O)CC1CCC[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate?
The InChIKey is QOBIPNOOPYDPRF-KWCCSABGSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)19-11-10-13-8-7-9-14(20-13)12-15(17)18-4/h13-14H,7-12H2,1-6H3/t13-,14?/m1/s1.
What are the key properties of methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate?
methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate has a molecular weight of 316.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate is sourced from PubChem (CID 135013074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).