6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione

C30H48O7Si2 — CID 102103067

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione
SMILESCC1(C)OC(=O)C=C(CC(=O)CC(=O)CC(O[Si](C)(C)C(C)(C)C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)O1
InChIInChI=1S/C30H48O7Si2/c1-28(2,3)38(9,10)36-24-15-13-21(14-16-24)26(37-39(11,12)29(4,5)6)19-23(32)17-22(31)18-25-20-27(33)35-30(7,8)34-25/h13-16,20,26H,17-19H2,1-12H3
InChIKeyUPTVAXWMKUNBMF-UHFFFAOYSA-N
MW576.88 g/mol
LogP7.64
Rot. Bonds11

About 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione

6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione (PubChem CID 102103067) has the molecular formula C30H48O7Si2 and a molecular weight of 576.88 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione
PubChem CID102103067
Molecular FormulaC30H48O7Si2
Molecular Weight576.88 g/mol
Exact Mass576.29
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione
SMILESCC1(C)OC(=O)C=C(CC(=O)CC(=O)CC(O[Si](C)(C)C(C)(C)C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)O1
InChIInChI=1S/C30H48O7Si2/c1-28(2,3)38(9,10)36-24-15-13-21(14-16-24)26(37-39(11,12)29(4,5)6)19-23(32)17-22(31)18-25-20-27(33)35-30(7,8)34-25/h13-16,20,26H,17-19H2,1-12H3
InChIKeyUPTVAXWMKUNBMF-UHFFFAOYSA-N
XLogP7.64
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.88
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione (CID 102103067) is 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione is CC1(C)OC(=O)C=C(CC(=O)CC(=O)CC(O[Si](C)(C)C(C)(C)C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)O1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione?
The InChIKey is UPTVAXWMKUNBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O7Si2/c1-28(2,3)38(9,10)36-24-15-13-21(14-16-24)26(37-39(11,12)29(4,5)6)19-23(32)17-22(31)18-25-20-27(33)35-30(7,8)34-25/h13-16,20,26H,17-19H2,1-12H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione?
6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione has a molecular weight of 576.88 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)hexane-2,4-dione is sourced from PubChem (CID 102103067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).