1,5-bis(trimethylsilyloxy)pentan-3-one

C11H26O3Si2 — CID 18622667

IUPAC1,5-bis(trimethylsilyloxy)pentan-3-one
SMILESC[Si](C)(C)OCCC(=O)CCO[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-15(2,3)13-9-7-11(12)8-10-14-16(4,5)6/h7-10H2,1-6H3
InChIKeyWKIYGXAQWPXHJE-UHFFFAOYSA-N
MW262.50 g/mol
LogP3.04
Rot. Bonds8

About 1,5-bis(trimethylsilyloxy)pentan-3-one

1,5-bis(trimethylsilyloxy)pentan-3-one (PubChem CID 18622667) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is 1,5-bis(trimethylsilyloxy)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(trimethylsilyloxy)pentan-3-one
PubChem CID18622667
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Name1,5-bis(trimethylsilyloxy)pentan-3-one
SMILESC[Si](C)(C)OCCC(=O)CCO[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-15(2,3)13-9-7-11(12)8-10-14-16(4,5)6/h7-10H2,1-6H3
InChIKeyWKIYGXAQWPXHJE-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 53.04
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 1,5-bis(trimethylsilyloxy)pentan-3-one?
The IUPAC name of 1,5-bis(trimethylsilyloxy)pentan-3-one (CID 18622667) is 1,5-bis(trimethylsilyloxy)pentan-3-one.
What is the SMILES notation for 1,5-bis(trimethylsilyloxy)pentan-3-one?
The canonical SMILES for 1,5-bis(trimethylsilyloxy)pentan-3-one is C[Si](C)(C)OCCC(=O)CCO[Si](C)(C)C.
What is the InChIKey of 1,5-bis(trimethylsilyloxy)pentan-3-one?
The InChIKey is WKIYGXAQWPXHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-15(2,3)13-9-7-11(12)8-10-14-16(4,5)6/h7-10H2,1-6H3.
What are the key properties of 1,5-bis(trimethylsilyloxy)pentan-3-one?
1,5-bis(trimethylsilyloxy)pentan-3-one has a molecular weight of 262.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(trimethylsilyloxy)pentan-3-one is sourced from PubChem (CID 18622667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).