2-[tert-butyl(dimethyl)silyl]hexan-3-one

C12H26OSi — CID 15033613

IUPAC2-[tert-butyl(dimethyl)silyl]hexan-3-one
SMILESCCCC(=O)C(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-8-9-11(13)10(2)14(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyLIOFZEXNYJQUNU-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.25
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]hexan-3-one

2-[tert-butyl(dimethyl)silyl]hexan-3-one (PubChem CID 15033613) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]hexan-3-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]hexan-3-one
PubChem CID15033613
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]hexan-3-one
SMILESCCCC(=O)C(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-8-9-11(13)10(2)14(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyLIOFZEXNYJQUNU-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[tert-butyl(dimethyl)silyl]hexan-3-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]hexan-3-one (CID 15033613) is 2-[tert-butyl(dimethyl)silyl]hexan-3-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]hexan-3-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]hexan-3-one is CCCC(=O)C(C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]hexan-3-one?
The InChIKey is LIOFZEXNYJQUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-8-9-11(13)10(2)14(6,7)12(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]hexan-3-one?
2-[tert-butyl(dimethyl)silyl]hexan-3-one has a molecular weight of 214.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]hexan-3-one is sourced from PubChem (CID 15033613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).