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'}

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

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Related Compounds

Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 10761852
1-[(2S,3R)-3-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]oxiran-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
CID 11049597
methyl (3R)-4-[(2S,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 15259814
methyl (3R)-4-[(2S,3S)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 15259815
ethyl 2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxopropyl)oxan-2-yl]acetate
CID 11473829
(2R,3S)-3-[(2R,4S,6S)-2,4,6-tris[[tert-butyl(dimethyl)silyl]oxy]heptyl]oxirane-2-carbaldehyde
CID 11766897
(1R,2S,6R,10S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5,11-dioxabicyclo[8.1.0]undecane-4,9-dione
CID 44471156
[(4R,5S,8S)-8-[(2S)-1-[(2S,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-methyl-2-oxooxocan-4-yl] acetate
CID 101340984
methyl (3S)-4-[(2R,3S)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 101990019

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).