methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate

C20H40O4Si — CID 164683691

IUPACmethyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate
SMILESCCC(=O)CC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C20H40O4Si/c1-10-18(21)11-12-20(8,19(22)23-9)13-14-24-25(15(2)3,16(4)5)17(6)7/h15-17H,10-14H2,1-9H3/t20-/m1/s1
InChIKeyJKKSIGHPTMCYPH-HXUWFJFHSA-N
MW372.62 g/mol
LogP5.51
Rot. Bonds12

About methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate

methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate (PubChem CID 164683691) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate
PubChem CID164683691
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Namemethyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate
SMILESCCC(=O)CC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C20H40O4Si/c1-10-18(21)11-12-20(8,19(22)23-9)13-14-24-25(15(2)3,16(4)5)17(6)7/h15-17H,10-14H2,1-9H3/t20-/m1/s1
InChIKeyJKKSIGHPTMCYPH-HXUWFJFHSA-N
XLogP5.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate?
The IUPAC name of methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate (CID 164683691) is methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate.
What is the SMILES notation for methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate?
The canonical SMILES for methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate is CCC(=O)CC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate?
The InChIKey is JKKSIGHPTMCYPH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-10-18(21)11-12-20(8,19(22)23-9)13-14-24-25(15(2)3,16(4)5)17(6)7/h15-17H,10-14H2,1-9H3/t20-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate?
methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate has a molecular weight of 372.62 g/mol, XLogP of 5.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-5-oxo-2-[2-tri(propan-2-yl)silyloxyethyl]heptanoate is sourced from PubChem (CID 164683691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).