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

C17H34O4Si2 — CID 14569490

IUPAC5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESC=CCC(CC(C(=O)OCC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-10-12-17(16(19)20-3,23(7,8)9)13-14(22(4,5)6)15(18)21-11-2/h10,14H,1,11-13H2,2-9H3
InChIKeyHYAFVMIBZLIKAV-UHFFFAOYSA-N
MW358.63 g/mol
LogP4.48
Rot. Bonds9

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

5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14569490) has the molecular formula C17H34O4Si2 and a molecular weight of 358.63 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14569490
Molecular FormulaC17H34O4Si2
Molecular Weight358.63 g/mol
Exact Mass358.20
IUPAC Name5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESC=CCC(CC(C(=O)OCC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-10-12-17(16(19)20-3,23(7,8)9)13-14(22(4,5)6)15(18)21-11-2/h10,14H,1,11-13H2,2-9H3
InChIKeyHYAFVMIBZLIKAV-UHFFFAOYSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14569490) is 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate is C=CCC(CC(C(=O)OCC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is HYAFVMIBZLIKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si2/c1-10-12-17(16(19)20-3,23(7,8)9)13-14(22(4,5)6)15(18)21-11-2/h10,14H,1,11-13H2,2-9H3.
What are the key properties of 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 358.63 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14569490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).