4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one

C18H38O4Si2 — CID 6430568

IUPAC4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(=O)OC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H38O4Si2/c1-16(2,3)23(8,9)21-15-13-18(7,12-14(19)20-15)22-24(10,11)17(4,5)6/h15H,12-13H2,1-11H3
InChIKeyVCLDVXXAJIJLJX-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.45
Rot. Bonds4

About 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one

4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one (PubChem CID 6430568) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one.

Molecular Properties

Compound Name4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one
PubChem CID6430568
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(=O)OC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H38O4Si2/c1-16(2,3)23(8,9)21-15-13-18(7,12-14(19)20-15)22-24(10,11)17(4,5)6/h15H,12-13H2,1-11H3
InChIKeyVCLDVXXAJIJLJX-UHFFFAOYSA-N
XLogP5.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mevalonic acid, triTBDMS
CID 553829
Mevalonolactone, diTMS
CID 6430481

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one?
The IUPAC name of 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one (CID 6430568) is 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one.
What is the SMILES notation for 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one?
The canonical SMILES for 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one is CC1(O[Si](C)(C)C(C)(C)C)CC(=O)OC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one?
The InChIKey is VCLDVXXAJIJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-16(2,3)23(8,9)21-15-13-18(7,12-14(19)20-15)22-24(10,11)17(4,5)6/h15H,12-13H2,1-11H3.
What are the key properties of 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one?
4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one has a molecular weight of 374.67 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyloxan-2-one is sourced from PubChem (CID 6430568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).