3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one

C36H66O8Si4 — CID 58985887

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(-c2oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c2O[Si](C)(C)C(C)(C)C)o1
InChIInChI=1S/C36H66O8Si4/c1-33(2,3)45(13,14)39-23-25-21-27(37)29(43-47(17,18)35(7,8)9)31(41-25)32-30(44-48(19,20)36(10,11)12)28(38)22-26(42-32)24-40-46(15,16)34(4,5)6/h21-22H,23-24H2,1-20H3
InChIKeyQRZFFKVXNJCMND-UHFFFAOYSA-N
MW739.26 g/mol
LogP11.07
Rot. Bonds11

About 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one

3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one (PubChem CID 58985887) has the molecular formula C36H66O8Si4 and a molecular weight of 739.26 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
PubChem CID58985887
Molecular FormulaC36H66O8Si4
Molecular Weight739.26 g/mol
Exact Mass738.38
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(-c2oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c2O[Si](C)(C)C(C)(C)C)o1
InChIInChI=1S/C36H66O8Si4/c1-33(2,3)45(13,14)39-23-25-21-27(37)29(43-47(17,18)35(7,8)9)31(41-25)32-30(44-48(19,20)36(10,11)12)28(38)22-26(42-32)24-40-46(15,16)34(4,5)6/h21-22H,23-24H2,1-20H3
InChIKeyQRZFFKVXNJCMND-UHFFFAOYSA-N
XLogP11.07
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.26
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one (CID 58985887) is 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(-c2oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c2O[Si](C)(C)C(C)(C)C)o1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The InChIKey is QRZFFKVXNJCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66O8Si4/c1-33(2,3)45(13,14)39-23-25-21-27(37)29(43-47(17,18)35(7,8)9)31(41-25)32-30(44-48(19,20)36(10,11)12)28(38)22-26(42-32)24-40-46(15,16)34(4,5)6/h21-22H,23-24H2,1-20H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one has a molecular weight of 739.26 g/mol, XLogP of 11.07, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one is sourced from PubChem (CID 58985887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).