1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate

C14H30O4Si2 — CID 14531365

IUPAC1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
SMILESCCOC(=O)C(CC(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-9-18-14(16)12(20(6,7)8)10-11(13(15)17-2)19(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyYINOEHXWDDCHLZ-UHFFFAOYSA-N
MW318.56 g/mol
LogP3.53
Rot. Bonds7

About 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate

1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14531365) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14531365
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Name1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
SMILESCCOC(=O)C(CC(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-9-18-14(16)12(20(6,7)8)10-11(13(15)17-2)19(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyYINOEHXWDDCHLZ-UHFFFAOYSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.53
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 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate (CID 14531365) is 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate is CCOC(=O)C(CC(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is YINOEHXWDDCHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-9-18-14(16)12(20(6,7)8)10-11(13(15)17-2)19(3,4)5/h11-12H,9-10H2,1-8H3.
What are the key properties of 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate?
1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 318.56 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14531365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).