4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one

C11H22O3Si — CID 162399979

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(5,6)13-8-11(4)7-9(12)14-11/h7-8H2,1-6H3
InChIKeyHGQFNPGJVZUUPH-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.71
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one (PubChem CID 162399979) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one
PubChem CID162399979
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(5,6)13-8-11(4)7-9(12)14-11/h7-8H2,1-6H3
InChIKeyHGQFNPGJVZUUPH-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one (CID 162399979) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one is CC1(CO[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one?
The InChIKey is HGQFNPGJVZUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(2,3)15(5,6)13-8-11(4)7-9(12)14-11/h7-8H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one has a molecular weight of 230.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxetan-2-one is sourced from PubChem (CID 162399979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).