12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione

C24H42O5Si — CID 91109710

IUPAC12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC(=O)CCCOCCOCCCC(=O)C=CCC1
InChIInChI=1S/C24H42O5Si/c1-24(2,3)30(4,5)29-23-15-7-6-11-21(25)13-9-17-27-19-20-28-18-10-14-22(26)12-8-16-23/h6,8,11-12,23H,7,9-10,13-20H2,1-5H3
InChIKeyCIAAMRSTQMIEBE-UHFFFAOYSA-N
MW438.68 g/mol
LogP5.40
Rot. Bonds2

About 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione

12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione (PubChem CID 91109710) has the molecular formula C24H42O5Si and a molecular weight of 438.68 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione
PubChem CID91109710
Molecular FormulaC24H42O5Si
Molecular Weight438.68 g/mol
Exact Mass438.28
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC(=O)CCCOCCOCCCC(=O)C=CCC1
InChIInChI=1S/C24H42O5Si/c1-24(2,3)30(4,5)29-23-15-7-6-11-21(25)13-9-17-27-19-20-28-18-10-14-22(26)12-8-16-23/h6,8,11-12,23H,7,9-10,13-20H2,1-5H3
InChIKeyCIAAMRSTQMIEBE-UHFFFAOYSA-N
XLogP5.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione (CID 91109710) is 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione is CC(C)(C)[Si](C)(C)OC1CC=CC(=O)CCCOCCOCCCC(=O)C=CCC1.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
The InChIKey is CIAAMRSTQMIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O5Si/c1-24(2,3)30(4,5)29-23-15-7-6-11-21(25)13-9-17-27-19-20-28-18-10-14-22(26)12-8-16-23/h6,8,11-12,23H,7,9-10,13-20H2,1-5H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione has a molecular weight of 438.68 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione is sourced from PubChem (CID 91109710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).