3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one

C25H50O4Si2 — CID 70588717

IUPAC3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
SMILESCCCCCC(C=CC1(C)CC(O[Si](C)(C)CCCC)C(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O4Si2/c1-11-13-15-16-21(28-31(9,10)24(3,4)5)17-18-25(6)20-22(23(26)27-25)29-30(7,8)19-14-12-2/h17-18,21-22H,11-16,19-20H2,1-10H3
InChIKeyOZVUCRWNWQXCEU-UHFFFAOYSA-N
MW470.84 g/mol
LogP7.61
Rot. Bonds13

About 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one

3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one (PubChem CID 70588717) has the molecular formula C25H50O4Si2 and a molecular weight of 470.84 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
PubChem CID70588717
Molecular FormulaC25H50O4Si2
Molecular Weight470.84 g/mol
Exact Mass470.32
IUPAC Name3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
SMILESCCCCCC(C=CC1(C)CC(O[Si](C)(C)CCCC)C(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O4Si2/c1-11-13-15-16-21(28-31(9,10)24(3,4)5)17-18-25(6)20-22(23(26)27-25)29-30(7,8)19-14-12-2/h17-18,21-22H,11-16,19-20H2,1-10H3
InChIKeyOZVUCRWNWQXCEU-UHFFFAOYSA-N
XLogP7.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.84
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one (CID 70588717) is 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one is CCCCCC(C=CC1(C)CC(O[Si](C)(C)CCCC)C(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
The InChIKey is OZVUCRWNWQXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O4Si2/c1-11-13-15-16-21(28-31(9,10)24(3,4)5)17-18-25(6)20-22(23(26)27-25)29-30(7,8)19-14-12-2/h17-18,21-22H,11-16,19-20H2,1-10H3.
What are the key properties of 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one has a molecular weight of 470.84 g/mol, XLogP of 7.61, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one is sourced from PubChem (CID 70588717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).