5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one

C11H23ClO2Si — CID 57382632

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)CCl
InChIInChI=1S/C11H23ClO2Si/c1-11(2,3)15(4,5)14-8-6-7-10(13)9-12/h6-9H2,1-5H3
InChIKeyBUHVIQTZOHPEPR-UHFFFAOYSA-N
MW250.84 g/mol
LogP3.60
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one

5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one (PubChem CID 57382632) has the molecular formula C11H23ClO2Si and a molecular weight of 250.84 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
PubChem CID57382632
Molecular FormulaC11H23ClO2Si
Molecular Weight250.84 g/mol
Exact Mass250.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)CCl
InChIInChI=1S/C11H23ClO2Si/c1-11(2,3)15(4,5)14-8-6-7-10(13)9-12/h6-9H2,1-5H3
InChIKeyBUHVIQTZOHPEPR-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloroacetamide
CID 15287415
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one (CID 57382632) is 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one is CC(C)(C)[Si](C)(C)OCCCC(=O)CCl.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one?
The InChIKey is BUHVIQTZOHPEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2Si/c1-11(2,3)15(4,5)14-8-6-7-10(13)9-12/h6-9H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one has a molecular weight of 250.84 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one is sourced from PubChem (CID 57382632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).