(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one

C15H32O2Si — CID 11380277

IUPAC(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
SMILESCC(=O)C[C@H](C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m1/s1
InChIKeyNNFGXKUKPSKOAP-CYBMUJFWSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds8

About (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one

(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one (PubChem CID 11380277) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one.

Molecular Properties

Compound Name(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
PubChem CID11380277
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
SMILESCC(=O)C[C@H](C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m1/s1
InChIKeyNNFGXKUKPSKOAP-CYBMUJFWSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2E,4E,7R)-12-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyldodeca-2,4-dienoate
CID 11144354
tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
The IUPAC name of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one (CID 11380277) is (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one.
What is the SMILES notation for (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
The canonical SMILES for (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one is CC(=O)C[C@H](C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
The InChIKey is NNFGXKUKPSKOAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3/t13-/m1/s1.
What are the key properties of (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one has a molecular weight of 272.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one is sourced from PubChem (CID 11380277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).