1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione

C12H24O3Si — CID 19789851

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione
SMILESCCC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-10(13)8-11(14)9-15-16(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKeyHBKMSGQBEXLVFA-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.95
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione

1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione (PubChem CID 19789851) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione
PubChem CID19789851
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione
SMILESCCC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-10(13)8-11(14)9-15-16(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKeyHBKMSGQBEXLVFA-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione (CID 19789851) is 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione is CCC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione?
The InChIKey is HBKMSGQBEXLVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-10(13)8-11(14)9-15-16(5,6)12(2,3)4/h7-9H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione?
1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione has a molecular weight of 244.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyhexane-2,4-dione is sourced from PubChem (CID 19789851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).