4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one

C15H36O4Si3 — CID 91696713

IUPAC4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one
SMILESCC(=O)C(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C15H36O4Si3/c1-14(16)15(11-17-20(2,3)4,12-18-21(5,6)7)13-19-22(8,9)10/h11-13H2,1-10H3
InChIKeyOTNMQBWNNUHWCR-UHFFFAOYSA-N
MW364.71 g/mol
LogP4.12
Rot. Bonds10

About 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one

4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one (PubChem CID 91696713) has the molecular formula C15H36O4Si3 and a molecular weight of 364.71 g/mol. Its IUPAC name is 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one.

Molecular Properties

Compound Name4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one
PubChem CID91696713
Molecular FormulaC15H36O4Si3
Molecular Weight364.71 g/mol
Exact Mass364.19
IUPAC Name4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one
SMILESCC(=O)C(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C15H36O4Si3/c1-14(16)15(11-17-20(2,3)4,12-18-21(5,6)7)13-19-22(8,9)10/h11-13H2,1-10H3
InChIKeyOTNMQBWNNUHWCR-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 54.12
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

4-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 12098487
4-[(Trimethylsilyl)oxy]-3-{[(trimethylsilyl)oxy]methyl}butan-2-one
CID 91696516
2,2,6,6,9,9-Hexamethyl-3,8-dioxa-2,9-disiladecan-5-one
CID 91696622
4-[Methoxy(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 57564626
3,3-Dimethyl-4-triethylsilyloxybutan-2-one
CID 12008020

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one?
The IUPAC name of 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one (CID 91696713) is 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one.
What is the SMILES notation for 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one?
The canonical SMILES for 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one is CC(=O)C(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one?
The InChIKey is OTNMQBWNNUHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O4Si3/c1-14(16)15(11-17-20(2,3)4,12-18-21(5,6)7)13-19-22(8,9)10/h11-13H2,1-10H3.
What are the key properties of 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one?
4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one has a molecular weight of 364.71 g/mol, XLogP of 4.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxy-3,3-bis(trimethylsilyloxymethyl)butan-2-one is sourced from PubChem (CID 91696713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).