6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one

C23H30O3Si — CID 12066110

IUPAC6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCC(=O)O1
InChIInChI=1S/C23H30O3Si/c1-22(2,3)27(19-12-7-5-8-13-19,20-14-9-6-10-15-20)25-18-23(4)17-11-16-21(24)26-23/h5-10,12-15H,11,16-18H2,1-4H3
InChIKeyJBUBDWIMBBMJER-UHFFFAOYSA-N
MW382.58 g/mol
LogP4.05
Rot. Bonds5

About 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one

6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one (PubChem CID 12066110) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one.

Molecular Properties

Compound Name6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one
PubChem CID12066110
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCC(=O)O1
InChIInChI=1S/C23H30O3Si/c1-22(2,3)27(19-12-7-5-8-13-19,20-14-9-6-10-15-20)25-18-23(4)17-11-16-21(24)26-23/h5-10,12-15H,11,16-18H2,1-4H3
InChIKeyJBUBDWIMBBMJER-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one?
The IUPAC name of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one (CID 12066110) is 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one.
What is the SMILES notation for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one?
The canonical SMILES for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one is CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCC(=O)O1.
What is the InChIKey of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one?
The InChIKey is JBUBDWIMBBMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-22(2,3)27(19-12-7-5-8-13-19,20-14-9-6-10-15-20)25-18-23(4)17-11-16-21(24)26-23/h5-10,12-15H,11,16-18H2,1-4H3.
What are the key properties of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one?
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one has a molecular weight of 382.58 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one is sourced from PubChem (CID 12066110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).