12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione

C19H34O5Si — CID 102286152

IUPAC12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CC(=O)C2OC2C1
InChIInChI=1S/C19H34O5Si/c1-19(2,3)25(4,5)24-14-10-8-6-7-9-11-22-17(21)13-15(20)18-16(12-14)23-18/h14,16,18H,6-13H2,1-5H3
InChIKeyZOPFQBLXVUIHOM-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.00
Rot. Bonds2

About 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione

12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione (PubChem CID 102286152) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione
PubChem CID102286152
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CC(=O)C2OC2C1
InChIInChI=1S/C19H34O5Si/c1-19(2,3)25(4,5)24-14-10-8-6-7-9-11-22-17(21)13-15(20)18-16(12-14)23-18/h14,16,18H,6-13H2,1-5H3
InChIKeyZOPFQBLXVUIHOM-UHFFFAOYSA-N
XLogP4.00
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione (CID 102286152) is 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione is CC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CC(=O)C2OC2C1.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione?
The InChIKey is ZOPFQBLXVUIHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-19(2,3)25(4,5)24-14-10-8-6-7-9-11-22-17(21)13-15(20)18-16(12-14)23-18/h14,16,18H,6-13H2,1-5H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione?
12-[tert-butyl(dimethyl)silyl]oxy-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione has a molecular weight of 370.56 g/mol, XLogP of 4.00, 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-5,15-dioxabicyclo[12.1.0]pentadecane-2,4-dione is sourced from PubChem (CID 102286152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).