5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione

C11H22O3Si — CID 59850474

IUPAC5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
SMILESCC(=O)C(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-9(12)10(13)7-8-14-15(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeySOLXUGXKMZYJJO-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.56
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione

5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione (PubChem CID 59850474) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
PubChem CID59850474
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
SMILESCC(=O)C(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-9(12)10(13)7-8-14-15(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeySOLXUGXKMZYJJO-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 139681349
N-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]hydroxylamine
CID 171665671
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
(E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dimethylhept-4-en-1-yn-3-one
CID 10424559
[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
CID 10714716
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione (CID 59850474) is 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione is CC(=O)C(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione?
The InChIKey is SOLXUGXKMZYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-9(12)10(13)7-8-14-15(5,6)11(2,3)4/h7-8H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione?
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione has a molecular weight of 230.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione is sourced from PubChem (CID 59850474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).