ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate

C15H34O2Si2 — CID 138984204

IUPACethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
SMILESCCOC(=O)[C@H]([C@@H](C[Si](C)(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C15H34O2Si2/c1-10-17-15(16)14(19(7,8)9)13(12(2)3)11-18(4,5)6/h12-14H,10-11H2,1-9H3/t13-,14-/m0/s1
InChIKeyPAFXKHQAVMCIRY-KBPBESRZSA-N
MW302.61 g/mol
LogP4.87
Rot. Bonds7

About ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate

ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate (PubChem CID 138984204) has the molecular formula C15H34O2Si2 and a molecular weight of 302.61 g/mol. Its IUPAC name is ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
PubChem CID138984204
Molecular FormulaC15H34O2Si2
Molecular Weight302.61 g/mol
Exact Mass302.21
IUPAC Nameethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
SMILESCCOC(=O)[C@H]([C@@H](C[Si](C)(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C15H34O2Si2/c1-10-17-15(16)14(19(7,8)9)13(12(2)3)11-18(4,5)6/h12-14H,10-11H2,1-9H3/t13-,14-/m0/s1
InChIKeyPAFXKHQAVMCIRY-KBPBESRZSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
The IUPAC name of ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate (CID 138984204) is ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate.
What is the SMILES notation for ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
The canonical SMILES for ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate is CCOC(=O)[C@H]([C@@H](C[Si](C)(C)C)C(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
The InChIKey is PAFXKHQAVMCIRY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H34O2Si2/c1-10-17-15(16)14(19(7,8)9)13(12(2)3)11-18(4,5)6/h12-14H,10-11H2,1-9H3/t13-,14-/m0/s1.
What are the key properties of ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate has a molecular weight of 302.61 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate is sourced from PubChem (CID 138984204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).