1,6-bis(triethylsilyloxy)hexan-3-one

C18H40O3Si2 — CID 18622653

IUPAC1,6-bis(triethylsilyloxy)hexan-3-one
SMILESCC[Si](CC)(CC)OCCCC(=O)CCO[Si](CC)(CC)CC
InChIInChI=1S/C18H40O3Si2/c1-7-22(8-2,9-3)20-16-13-14-18(19)15-17-21-23(10-4,11-5)12-6/h7-17H2,1-6H3
InChIKeyDPDGXURYKUOSIQ-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.77
Rot. Bonds15

About 1,6-bis(triethylsilyloxy)hexan-3-one

1,6-bis(triethylsilyloxy)hexan-3-one (PubChem CID 18622653) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 1,6-bis(triethylsilyloxy)hexan-3-one.

Molecular Properties

Compound Name1,6-bis(triethylsilyloxy)hexan-3-one
PubChem CID18622653
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name1,6-bis(triethylsilyloxy)hexan-3-one
SMILESCC[Si](CC)(CC)OCCCC(=O)CCO[Si](CC)(CC)CC
InChIInChI=1S/C18H40O3Si2/c1-7-22(8-2,9-3)20-16-13-14-18(19)15-17-21-23(10-4,11-5)12-6/h7-17H2,1-6H3
InChIKeyDPDGXURYKUOSIQ-UHFFFAOYSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(triethylsilyloxy)hexan-3-one?
The IUPAC name of 1,6-bis(triethylsilyloxy)hexan-3-one (CID 18622653) is 1,6-bis(triethylsilyloxy)hexan-3-one.
What is the SMILES notation for 1,6-bis(triethylsilyloxy)hexan-3-one?
The canonical SMILES for 1,6-bis(triethylsilyloxy)hexan-3-one is CC[Si](CC)(CC)OCCCC(=O)CCO[Si](CC)(CC)CC.
What is the InChIKey of 1,6-bis(triethylsilyloxy)hexan-3-one?
The InChIKey is DPDGXURYKUOSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-7-22(8-2,9-3)20-16-13-14-18(19)15-17-21-23(10-4,11-5)12-6/h7-17H2,1-6H3.
What are the key properties of 1,6-bis(triethylsilyloxy)hexan-3-one?
1,6-bis(triethylsilyloxy)hexan-3-one has a molecular weight of 360.69 g/mol, XLogP of 5.77, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(triethylsilyloxy)hexan-3-one is sourced from PubChem (CID 18622653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).