1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one

C15H34O3Si2 — CID 10313846

IUPAC1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h11-12H2,1-10H3
InChIKeyKBXSHJBUULXUDS-UHFFFAOYSA-N
MW318.61 g/mol
LogP4.60
Rot. Bonds6

About 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one

1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one (PubChem CID 10313846) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one.

Molecular Properties

Compound Name1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one
PubChem CID10313846
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Name1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h11-12H2,1-10H3
InChIKeyKBXSHJBUULXUDS-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.60
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 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one?
The IUPAC name of 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one (CID 10313846) is 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one.
What is the SMILES notation for 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one?
The canonical SMILES for 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one is CC(C)(C)[Si](C)(C)OCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one?
The InChIKey is KBXSHJBUULXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h11-12H2,1-10H3.
What are the key properties of 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one?
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one has a molecular weight of 318.61 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-one is sourced from PubChem (CID 10313846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).